SCHEMBL5197802

SCHEMBL5197802

Cc1cccc(-c2[nH]c(C(C)C)nc2-c2ccc(F)c(-c3ccc(CC(=O)NC4CCOCC4)cc3)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.62
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MAPK1 P28482 5/20 0.37
PTGER3 P43115 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL5197993 0.89 TGFBR1 (0.77) TGFBR1MAPK1KDR
SCHEMBL5201014 0.80 TGFBR1 (0.46) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5229192 0.80 TGFBR1 (0.62) TGFBR1TLR9TLR8TLR7
SCHEMBL5199606 0.79 TGFBR1 (0.82) TGFBR1KDR
SCHEMBL5228813 0.79 TGFBR1 (0.50) TGFBR1CYP2C9CYP2C19
SCHEMBL5197598 0.79 TGFBR1 (0.57) TGFBR1CYP2D6
SCHEMBL5199443 0.79 TGFBR1 (0.50) TGFBR1
SCHEMBL5198595 0.78 TGFBR1 (0.48) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5198385 0.78 TGFBR1 (0.43) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5200669 0.78 TGFBR1 (0.51) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19

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 40/4885CYP1A2 151/4885CYP2D6 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.