SCHEMBL5200577

SCHEMBL5200577

Cc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccc(NC(=O)NC4CCN(C)CC4)cc3)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.53
ATM Q13315 2/20 0.42
ALDH1A1 P00352 1/20 0.38
DYRK1A Q13627 2/20 0.38
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
EPHX2 P34913 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
SCHEMBL5199443 0.90 TGFBR1 (0.50) TGFBR1ATMDYRK1AWNT1
SCHEMBL5226839 0.89 TGFBR1 (0.67) TGFBR1DYRK1A
SCHEMBL5224356 0.82 TGFBR1 (0.58) TGFBR1DYRK1A
SCHEMBL5197681 0.82 TGFBR1 (0.46) TGFBR1
SCHEMBL5199224 0.82 TGFBR1 (0.50) TGFBR1ALDH1A1
SCHEMBL5197656 0.82 TGFBR1 (0.52) TGFBR1
SCHEMBL5200004 0.80 TGFBR1 (0.44) TGFBR1
SCHEMBL5229192 0.79 TGFBR1 (0.62) TGFBR1DYRK1AWNT1
SCHEMBL5200616 0.79 TGFBR1 (0.47) TGFBR1
SCHEMBL5200634 0.79 TGFBR1 (0.54) TGFBR1ALDH1A1

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 40/4885ATM 4814/4885ALDH1A1 204/4885

“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.