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 | |
|---|---|---|---|---|
| ▸ | SGK1 | O00141 | 4/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6095949 | 1.00 | SGK1 (0.39) | SGK1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL5732443 | 0.94 | ADORA1 (0.40) | SGK1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL5732447 | 0.94 | ADORA1 (0.40) | SGK1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL6076663 | 0.91 | ADORA1 (0.40) | SGK1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL6076669 | 0.91 | ADORA1 (0.40) | SGK1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL6095953 | 0.88 | CYP1A2 (0.33) | SGK1USP2CYP1A2CYP2C19IGF1R | |
| SCHEMBL6075331 | 0.88 | SGK1 (0.44) | SGK1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL6075328 | 0.88 | SGK1 (0.44) | SGK1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL5732894 | 0.84 | IGF1R (0.42) | ADORA1ADORA2AADORA3ADORA2BCYP1A2 | |
| SCHEMBL6075639 | 0.83 | ADORA1 (0.47) | ADORA1ADORA2AADORA3ADORA2BUSP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7138398-B2 | Substituted 4-amino-2-arylcyclopenta[d]pyrimidines, their preparation, their use and pharmaceutical preparations comprising them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-11-21 | — | — | US | disclosed |
| US-20040048850-A1 | Substituted 4-amino-2-arylcyclopenta[d]pyrimidines, their preparation, their use and pharmaceutical preparations comprising them | AVENTIS PHARMA DEUTSCHLAND GMBH | 2004-03-11 | — | — | US | disclosed |
| US-6627628-B1 | Cardiovascular diseases such as hypertension, angina pectoris, heart failure, thrombosis and atherosclerosis. The compounds of formula (I) are able to modulate the body's own production of cyclic guanosine monophosphate (cGMP) and are suitable for | AVENTIS PHARMA DEUTSCHLAND, GMBH (DE) | 2003-09-30 | — | — | US | 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 (1 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-20040048850-A1 | Substituted 4-amino-2-arylcyclopenta[d]pyrimidines, their preparation, their use and pharmaceutical preparations comprising them | PDE3A, PDE2A, NPR1 | SGK1 4410/4885ADORA1 7/4885ADORA2A 16/4885 |
“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.