Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.55 |
| ▸ | CTSK | P43235 | 4/20 | 0.51 |
| ▸ | CTSS | P25774 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | XBP1 | P17861 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GPR88 | Q9GZN0 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL127326 | 0.94 | RIPK1 (0.60) | RIPK1CTSKCTSSGPR88MAPT | |
| SCHEMBL2481921 | 0.94 | RIPK1 (0.60) | RIPK1CTSKCTSSGPR88MAPT | |
| SCHEMBL3349953 | 0.94 | RIPK1 (0.60) | RIPK1CTSKCTSSGPR88MAPT | |
| SCHEMBL4714034 | 0.87 | CTSK (0.47) | RIPK1CTSKCTSSALDH1A1LMNA | |
| SCHEMBL9299662 | 0.86 | CTSK (0.51) | CTSKCTSSALDH1A1LMNAPKM | |
| SCHEMBL14831425 | 0.86 | CTSK (0.52) | RIPK1CTSKCTSSGPR88ATM | |
| SCHEMBL14831426 | 0.86 | CTSK (0.52) | RIPK1CTSKCTSSGPR88ATM | |
| SCHEMBL669317 | 0.84 | CTSK (0.49) | CTSKCTSSALDH1A1LMNAPKM | |
| SCHEMBL21349963 | 0.84 | GPR88 (0.53) | RIPK1CTSKCTSSGPR88 | |
| SCHEMBL669318 | 0.84 | CTSK (0.49) | CTSKCTSSALDH1A1LMNAPKM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1644342-B1 | Arylpyrimidines useful for the treatment of sex hormone-related conditions such as endometriosis, prostate cancer and the like | NEUROCRINE BIOSCIENCES INC (US) | 2012-05-09 | — | — | EP | disclosed |
| EP-1660091-B1 | PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES INC (US) | 2009-04-15 | — | — | EP | disclosed |
| EP-1646389-B1 | PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES INC (US) | 2008-09-10 | — | — | EP | disclosed |
| US-7419983-B2 | e.g. 3-[{hydroxycarbonylpropyl-amino}-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione; sex-hormone related diseases; anticarcinogenic agent; endometriosis, uterine fibroids, polycystic ovarian disease | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-09-02 | — | — | US | disclosed |
| US-7329669-B2 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-02-12 | — | — | US | disclosed |
| US-20070191403-A1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. (US) | 2007-08-16 | — | — | US | disclosed |
| US-7229995-B2 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2007-06-12 | — | — | US | disclosed |
| US-7176211-B2 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-20070015778-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2007-01-18 | — | — | US | disclosed |
| US-7071200-B2 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-07-04 | — | — | US | disclosed |
| US-20060122202-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-06-08 | — | — | US | disclosed |
| US-7056927-B2 | 3-[2(R)-{hydroxycarbonylpropyl-amino}-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-pyrimidine-2,4(1H,3H)-dione; utility in treatment of a variety of sex-hormone related conditions in both men and women | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-06-06 | — | — | US | disclosed |
| EP-1646389-A1 | PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-04-19 | — | — | EP | disclosed |
| EP-1644342-A1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-04-12 | — | — | EP | disclosed |
| US-7015226-B2 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-03-21 | — | — | US | disclosed |
| US-20050043338-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2005-02-24 | — | — | US | disclosed |
| US-20050038057-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (CA) | 2005-02-17 | — | — | US | disclosed |
| US-20050038056-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2005-02-17 | — | — | US | disclosed |
| WO-2005007633-A1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. (US) | 2005-01-27 | — | — | WO | disclosed |
| WO-2005007165-A1 | PYRIMIDINE-2, 4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2005-01-27 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050038056-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | GNRHR, GHRHR, LHCGR | AGTR1 243/4885RIPK1 3035/4885CTSK 2276/4885 |
| US-20050043338-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | GNRHR, GHRHR, LHCGR | AGTR1 263/4885RIPK1 2999/4885CTSK 2109/4885 |
| US-20070015778-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | GNRHR, GHRHR, LHCGR | AGTR1 263/4885RIPK1 2999/4885CTSK 2109/4885 |
| US-20070191403-A1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | GNRHR, GHRHR, LHCGR | AGTR1 256/4885RIPK1 3002/4885CTSK 2184/4885 |
| US-20060122202-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | GNRHR, GHRHR, LHCGR | AGTR1 256/4885RIPK1 3002/4885CTSK 2184/4885 |
| US-20050038057-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | GNRHR, GHRHR, LHCGR | AGTR1 256/4885RIPK1 3002/4885CTSK 2184/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.