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 | |
|---|---|---|---|---|
| ▸ | KDR known ✓ | P35968 | 6/20 | 0.46 |
| ▸ | BRAF known ✓ | P15056 | 6/20 | 0.42 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.38 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RAF1 | P04049 | 3/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.41 |
| ▸ | CDK8 | P49336 | 3/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | CDK11B | P21127 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | CDKL2 | Q92772 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | ARAF | P10398 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL626746 | 0.94 | KDR (0.47) | KDRMEN1ALDH1A1KMT2ABRAF | |
| SCHEMBL12015906 | 0.89 | KDR (0.44) | KDRMEN1ALDH1A1KMT2ABRAF | |
| SCHEMBL12348791 | 0.88 | KDR (0.45) | KDRMEN1ALDH1A1KMT2ABRAF | |
| SCHEMBL626906 | 0.85 | PDGFRB (0.54) | KDRMEN1ALDH1A1KMT2ABRAF | |
| SCHEMBL12015914 | 0.85 | MEN1 (0.43) | KDRMEN1ALDH1A1KMT2ABRAF | |
| SCHEMBL12348792 | 0.84 | PDGFRB (0.44) | KDRMEN1ALDH1A1KMT2ABRAF | |
| Trifluoroacetic Acid SCHEMBL3529522 | 0.83 | KDR (0.42) | KDRMEN1ALDH1A1KMT2ABRAF | |
| SCHEMBL12348822 | 0.83 | KDR (0.61) | KDRMEN1ALDH1A1KMT2ABRAF | |
| SCHEMBL13547690 | 0.83 | PDGFRB (0.36) | KDRMEN1ALDH1A1KMT2ACHEK2 | |
| SCHEMBL12348794 | 0.82 | KDR (0.45) | KDRMEN1ALDH1A1KMT2ABRAF |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130243754-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2013-09-19 | — | — | US | disclosed |
| US-8372971-B2 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2013-02-12 | — | — | US | disclosed |
| EP-2532653-A1 | Benzo[1,2,4]triazines as protein kinase modulators | Targegen, Inc. (US) | 2012-12-12 | — | — | EP | disclosed |
| US-20120220584-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2012-08-30 | — | — | US | disclosed |
| US-8084618-B2 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| US-20100330069-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2010-12-30 | — | — | US | disclosed |
| US-7652051-B2 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2010-01-26 | — | — | US | disclosed |
| US-20060079526-A1 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2006-04-13 | — | — | 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 (4 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-20120220584-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AADAC, NISCH, PAICS | KDR 4380/4885BRAF 1296/4885PDGFRB 2469/4885 |
| US-20130243754-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AADAC, NISCH, PAICS | KDR 4380/4885BRAF 1296/4885PDGFRB 2469/4885 |
| US-20060079526-A1 | Heterocyclic compounds and methods of use | AADAC, NISCH, PAICS | KDR 4380/4885BRAF 1296/4885PDGFRB 2469/4885 |
| US-20100330069-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AADAC, NISCH, PAICS | KDR 4380/4885BRAF 1296/4885PDGFRB 2469/4885 |
“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.