SCHEMBL2886243

SCHEMBL2886243

Nc1ncc(-c2ccc(Nc3ccnc4[nH]ccc34)c(F)c2)c(N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.42
BMPR1A P36894 1/20 0.42
ACVR1B P36896 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42
PRKCI P41743 1/20 0.41
DHFR P00374 5/20 0.41
ROCK2 O75116 1/20 0.40
NUDT1 P36639 2/20 0.40
CCNK O75909 2/20 0.40
CDK12 Q9NYV4 2/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
SYK P43405 1/20 0.38
RPS6KA3 P51812 1/20 0.38
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37

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
SCHEMBL2876898 0.80 ROCK2 (0.61) ROCK2CYP3A4
SCHEMBL2885882 0.80 ROCK2 (0.41) TGFBR1BMPR1AACVR1BACVRL1ACVR1
SCHEMBL2889746 0.79 ROCK2 (0.43) TGFBR1BMPR1AACVR1BACVRL1ACVR1
SCHEMBL2882671 0.78 TGFBR1 (0.45) TGFBR1BMPR1AACVR1BACVRL1ACVR1
SCHEMBL8271232 0.76 ROCK2 (0.67) TGFBR1BMPR1AACVR1BACVRL1ACVR1
SCHEMBL2889201 0.72 ROCK2 (0.61) TGFBR1ROCK2CYP1A2CYP3A4CYP2C8
SCHEMBL13354262 0.71 TGFBR1 (0.43) TGFBR1BMPR1AACVR1BACVRL1ACVR1
SCHEMBL2881832 0.71 ROCK2 (0.69) TGFBR1BMPR1AACVR1BACVRL1ACVR1
SCHEMBL8271611 0.70 ROCK2 (0.71) TGFBR1ROCK2CYP1A2CYP3A4CYP2C8
SCHEMBL8271607 0.69 ROCK2 (0.70) TGFBR1BMPR1AACVR1BACVRL1ACVR1

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 5 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
EP-1742945-B1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER SCHERING PHARMA AG (DE) 2009-12-30 EP disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
EP-1742945-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2005108397-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER HEALTHCARE AG (DE) 2005-11-17 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 (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 TGFBR1 4251/4885BMPR1A 4355/4885ACVR1B 4258/4885

“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.