SCHEMBL2886200

SCHEMBL2886200

Nc1cc(Cl)nc(Nc2cc(F)c(Nc3ccnc4[nH]ccc34)c(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.46
TGFBR1 P36897 3/20 0.40
BMPR1A P36894 1/20 0.40
ACVR1B P36896 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
AXL P30530 2/20 0.37
PRKCI P41743 1/20 0.37
TNNI3K Q59H18 1/20 0.37
ROCK1 Q13464 3/20 0.37
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CDC7 O00311 2/20 0.35
DAPK3 O43293 2/20 0.35
PRKACA P17612 2/20 0.35
CDK2 P24941 2/20 0.35
FLT3 P36888 2/20 0.35
CDK7 P50613 2/20 0.35
PRKX P51817 2/20 0.35

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
SCHEMBL4406963 0.84 ROCK2 (0.65) ROCK2TGFBR1BMPR1AACVR1BACVRL1
SCHEMBL5320887 0.82 ROCK2 (0.43) ROCK2TGFBR1BMPR1AACVR1BACVRL1
SCHEMBL2888202 0.79 ROCK1 (0.46) ROCK2TGFBR1BMPR1AACVR1BACVRL1
SCHEMBL2888017 0.78 ROCK2 (0.48) ROCK2AXLPRKCIROCK1CYP3A4
SCHEMBL2887522 0.77 ROCK2 (0.47) ROCK2AXLPRKCIROCK1CYP3A4
SCHEMBL14028650 0.74 ROCK1 (0.52) ROCK2TGFBR1BMPR1AACVR1BACVRL1
SCHEMBL2881832 0.73 ROCK2 (0.69) ROCK2TGFBR1BMPR1AACVR1BACVRL1
SCHEMBL2882673 0.72 ROCK2 (0.50) ROCK2TGFBR1BMPR1AACVR1BACVRL1
SCHEMBL13593699 0.71 ROCK1 (0.49) ROCK2TGFBR1BMPR1AACVR1BACVRL1
SCHEMBL858953 0.70 TNNI3K (0.52) ROCK2TGFBR1BMPR1AACVR1BACVRL1

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 4593/4885TGFBR1 4251/4885BMPR1A 4355/4885

“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.