SCHEMBL5200486

SCHEMBL5200486

Cc1cccc(-c2[nH]c(C(C)C)nc2-c2ccc(F)c(-c3ccc(C)[nH]3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.43
MAPK14 Q16539 9/20 0.41
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
MTOR P42345 1/20 0.39
RIPK2 O43353 1/20 0.38
ACVR1B P36896 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5198031 0.88 TGFBR1 (0.42) TGFBR1MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL5199379 0.87 TGFBR1 (0.42) TGFBR1MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL5199950 0.85 TGFBR1 (0.43) TGFBR1MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL5199747 0.85 KDM4E (0.46) TGFBR1MAPK14MTORRIPK2ACVR1B
SCHEMBL5201015 0.85 TGFBR1 (0.42) TGFBR1MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL5199896 0.85 TGFBR1 (0.42) TGFBR1MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL5198178 0.85 TGFBR1 (0.42) TGFBR1MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL5199327 0.84 TGFBR1 (0.48) TGFBR1MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL5199569 0.84 TGFBR1 (0.44) TGFBR1MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL5197647 0.84 TGFBR1 (0.42) TGFBR1MAPK14CYP2D6CYP2C9CYP2C19

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 40/4885MAPK14 2998/4885CYP2D6 214/4885

“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.