SCHEMBL5222935

SCHEMBL5222935

Cc1cccc(-c2[nH]c(C(C)C)nc2-c2ccc(F)c(-c3ccc(C(=O)NN4CCN(C)CC4)cc3)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.51
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SRC P12931 1/20 0.36
EGFR P00533 2/20 0.36
MAPK14 Q16539 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
SCHEMBL5197598 0.92 TGFBR1 (0.57) TGFBR1CYP2D6SMN1; SMN2MAPK14
SCHEMBL5200634 0.90 TGFBR1 (0.54) TGFBR1CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL5197782 0.89 TGFBR1 (0.43) TGFBR1MAPK14
SCHEMBL5229192 0.88 TGFBR1 (0.62) TGFBR1HDAC6MAPK14
SCHEMBL5228132 0.84 TGFBR1 (0.44) TGFBR1MAPK14
SCHEMBL5200669 0.83 TGFBR1 (0.51) TGFBR1CYP2D6CYP2C9CYP2C19MAPK14
SCHEMBL5198925 0.81 TGFBR1 (0.49) TGFBR1NPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL5220612 0.81 CYP2D6 (0.43) TGFBR1CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL5198378 0.81 TGFBR1 (0.61) TGFBR1CYP2D6SMN1; SMN2MAPK14
SCHEMBL5197993 0.81 TGFBR1 (0.77) TGFBR1HDAC6MAPK14

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 4 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 claimed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP claimed
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.