SCHEMBL6364860

SCHEMBL6364860

C=C(C)c1ccc(CN2CCN(c3ccc(NC(=O)c4ccc(C)c(-c5ccc(C#N)cc5)c4)cn3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 2/20 0.49
FASN P49327 4/20 0.47
PPARG P37231 2/20 0.47
ABL1 P00519 2/20 0.47
CXCR3 P49682 1/20 0.46
LCK P06239 3/20 0.46
CSF1R P07333 3/20 0.46
MAPK14 Q16539 3/20 0.46
EGFR P00533 1/20 0.46
KDR P35968 1/20 0.46
ERBB4 Q15303 1/20 0.46
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KIT P10721 1/20 0.45
RET P07949 1/20 0.44
PRKAA2 P54646 2/20 0.44

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
SCHEMBL1140359 0.95 DDR2 (0.53) DDR2FASNPPARGABL1CXCR3
SCHEMBL1140453 0.92 DDR2 (0.49) DDR2FASNPPARGABL1CXCR3
SCHEMBL1140747 0.91 MAPK14 (0.51) DDR2FASNPPARGABL1CXCR3
SCHEMBL1140522 0.90 PANK3 (0.54) DDR2FASNPPARGABL1CXCR3
SCHEMBL1140736 0.90 PANK3 (0.50) DDR2FASNPPARGABL1CXCR3
SCHEMBL6341049 0.90 DDR2 (0.48) DDR2FASNPPARGABL1CXCR3
SCHEMBL10080385 0.89 DDR2 (0.49) DDR2FASNPPARGABL1MAPK14
SCHEMBL1140297 0.89 FASN (0.49) DDR2FASNPPARGABL1MAPK14
SCHEMBL1229935 0.89 MAPK14 (0.50) DDR2FASNPPARGMAPK14RET
SCHEMBL1140271 0.88 FASN (0.49) DDR2FASNPPARGABL1CXCR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 US disclosed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 US disclosed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 US 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 (2 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-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 DDR2 1167/4885FASN 3081/4885PPARG 300/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO DDR2 704/4885FASN 2368/4885PPARG 947/4885

“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.