SCHEMBL5200616

SCHEMBL5200616

Cc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccc(NC(=O)C(C)(C)O)cc3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.47
MTOR P42345 1/20 0.41
MAPK14 Q16539 10/20 0.39
RIPK2 O43353 2/20 0.39
ACVR1B P36896 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.37
KDR P35968 1/20 0.36

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
SCHEMBL5199601 0.89 TGFBR1 (0.45) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL5199224 0.89 TGFBR1 (0.50) TGFBR1MAPK14KDM4E
SCHEMBL5199177 0.81 TGFBR1 (0.54) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL5199931 0.81 TGFBR1 (0.48) TGFBR1MTORMAPK14KDM4E
SCHEMBL5199866 0.81 TGFBR1 (0.48) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL5197656 0.80 TGFBR1 (0.52) TGFBR1MTORMAPK14
SCHEMBL5200108 0.79 TGFBR1 (0.45) TGFBR1MAPK14KDM4E
SCHEMBL5200577 0.79 TGFBR1 (0.53) TGFBR1
SCHEMBL5201273 0.79 TGFBR1 (0.47) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL5199441 0.79 TGFBR1 (0.47) TGFBR1MTORMAPK14RIPK2ACVR1B

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-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP 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-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 TGFBR1 40/4885MTOR 3462/4885MAPK14 2998/4885

“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.