SCHEMBL5199294

SCHEMBL5199294

Cc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccc(F)cc3F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPK14 Q16539 8/20 0.40
MTOR P42345 1/20 0.39

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
SCHEMBL5199446 0.89 KDM4E (0.47) TGFBR1CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL5198045 0.88 KDM4E (0.47) TGFBR1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL5201273 0.87 TGFBR1 (0.47) TGFBR1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL5199629 0.85 LRRK2 (0.42) TGFBR1KDM4EMAPK14MTOR
SCHEMBL5200002 0.84 TGFBR1 (0.42) TGFBR1CYP1A2KDM4EMAPK14
SCHEMBL5200698 0.80 TGFBR1 (0.45) TGFBR1MAPK14
SCHEMBL5199866 0.80 TGFBR1 (0.48) TGFBR1KDM4EMAPK14MTOR
SCHEMBL5198615 0.79 TGFBR1 (0.46) TGFBR1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL5199459 0.79 TGFBR1 (0.49) TGFBR1KDM4EMAPK14MTOR
SCHEMBL5198642 0.78 KDM4E (0.49) TGFBR1KDM4EMAPK14MTOR

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 40/4885CYP2D6 214/4885CYP2C9 477/4885

“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.