SCHEMBL2882673

SCHEMBL2882673

Nc1ccc(Nc2ccnc3[nH]ccc23)cc1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.50
TNNI3K Q59H18 1/20 0.49
TGFBR1 P36897 3/20 0.44
BMPR1A P36894 1/20 0.44
ACVR1B P36896 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44
ROCK1 Q13464 1/20 0.44
CYP3A4 P08684 2/20 0.44
MET P08581 1/20 0.43
NUDT1 P36639 1/20 0.43
CIT O14578 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C8 P10632 1/20 0.40
PRKCI P41743 2/20 0.40
AXL P30530 1/20 0.40

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL858953 0.87 TNNI3K (0.52) ROCK2TNNI3KTGFBR1BMPR1AACVR1B
SCHEMBL2881812 0.81 ROCK2 (0.44) ROCK2TNNI3KACVR1ROCK1CYP3A4
SCHEMBL2881534 0.80 TTBK1 (0.54) TNNI3KROCK1PRKCIAXL
SCHEMBL858107 0.80 TTBK1 (0.51) TNNI3KTGFBR1BMPR1AACVR1BACVRL1
SCHEMBL858875 0.79 TNNI3K (0.51) ROCK2TNNI3KTGFBR1BMPR1AACVR1B
SCHEMBL8271232 0.78 ROCK2 (0.67) ROCK2TGFBR1BMPR1AACVR1BACVRL1
SCHEMBL858193 0.78 TNNI3K (0.60) TNNI3KTGFBR1ROCK1CYP3A4MET
SCHEMBL2888202 0.78 ROCK1 (0.46) ROCK2TNNI3KTGFBR1BMPR1AACVR1B
SCHEMBL2882671 0.77 TGFBR1 (0.45) ROCK2TNNI3KTGFBR1BMPR1AACVR1B
SCHEMBL14845851 0.76 TNNI3K (0.55) ROCK2TNNI3KTGFBR1BMPR1AACVR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080269268-A1 Substituted Phenylamino-Pyrimidines TYMP, DPYD, HPRT1 ROCK2 4593/4885TNNI3K 1956/4885TGFBR1 4251/4885

“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.