SCHEMBL5201014

SCHEMBL5201014

Cc1cccc(-c2[nH]c(C(C)C)nc2-c2ccc(F)c(-c3ccc(CN4CCOCC4)cc3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.46
MAPK14 Q16539 4/20 0.42
ALOX5 P09917 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
KCNH2 Q12809 1/20 0.39
TNKS O95271 1/20 0.38
DHODH Q02127 1/20 0.37
LRRK2 Q5S007 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
SCHEMBL5198328 0.89 TGFBR1 (0.49) TGFBR1MAPK14ALOX5CNR2JAK2
SCHEMBL5198595 0.88 TGFBR1 (0.48) TGFBR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL5199257 0.86 TGFBR1 (0.45) TGFBR1MAPK14CNR1CNR2JAK1
SCHEMBL6251548 0.86 TGFBR1 (0.62) TGFBR1MAPK14ALOX5JAK2JAK1
SCHEMBL5198385 0.82 TGFBR1 (0.43) TGFBR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL5197598 0.82 TGFBR1 (0.57) TGFBR1MAPK14CYP2D6CNR1
SCHEMBL5228813 0.82 TGFBR1 (0.50) TGFBR1CYP2C9CYP2C19JAK1
SCHEMBL5197802 0.80 TGFBR1 (0.62) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5198925 0.80 TGFBR1 (0.49) TGFBR1MAPK14
SCHEMBL5199327 0.80 TGFBR1 (0.48) TGFBR1MAPK14CYP1A2CYP2D6CYP2C9

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 2998/4885ALOX5 2942/4885

“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.