SCHEMBL2885996

SCHEMBL2885996

C[Si](C)(C)CCOCn1ccc2c(Nc3ccc(N)cc3F)ccnc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.36
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
ALOX5AP P20292 3/20 0.31
FEN1 P39748 3/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
DGAT1 O75907 1/20 0.30

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
SCHEMBL2881855 0.84 S1PR4 (0.35) BMPR1BACVR1BTGFBR1ACVRL1ACVR1
SCHEMBL2882420 0.83 DGAT1 (0.35) ALOX5APFEN1DGAT1
SCHEMBL2886193 0.81 ADRA2B (0.33) ALOX5APFEN1DGAT1
SCHEMBL99396 0.80 DGAT1 (0.33) DGAT1
SCHEMBL29940970 0.78 DGAT1 (0.37) KDRALOX5APFEN1DGAT1
SCHEMBL20588913 0.78 AXL (0.33) KDRALOX5APFEN1DGAT1
SCHEMBL2884991 0.76 CCNC (0.39) BMPR1BACVR1BTGFBR1ACVRL1ACVR1
SCHEMBL2884544 0.76 DGAT1 (0.35) KDRDGAT1
SCHEMBL31554477 0.74 AXL (0.33) ALOX5APFEN1DGAT1
SCHEMBL25249487 0.72 KDR (0.43) FLT1KDRBRAF

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 7 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-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
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 BMPR1B 4503/4885ACVR1B 4258/4885TGFBR1 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.