SCHEMBL10080385

SCHEMBL10080385

Cc1cccc(CN2CCN(c3ccc(NC(=O)c4ccc(C)c(-c5ccc(C#N)cc5)c4)cn3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
FASN P49327 4/20 0.47
MAPK14 Q16539 4/20 0.46
RAB9A P51151 2/20 0.45
SLC2A1 P11166 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 1/20 0.45
ALDH1A1 P00352 1/20 0.45
BRAF P15056 1/20 0.44
PRKAA2 P54646 1/20 0.44
ABL1 P00519 1/20 0.43

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
SCHEMBL1229935 0.95 MAPK14 (0.50) DDR2FASNMAPK14SLC2A1PPARG
SCHEMBL1140453 0.93 DDR2 (0.49) DDR2MAPTFASNMAPK14PPARG
SCHEMBL1140460 0.93 DDR2 (0.48) DDR2KDM4EMAPTFASNMAPK14
SCHEMBL1140493 0.93 DDR2 (0.48) DDR2MAPTFASNMAPK14RAB9A
SCHEMBL1140359 0.92 DDR2 (0.53) DDR2FASNMAPK14RAB9AL3MBTL1
SCHEMBL1140351 0.90 HIF1A (0.51) DDR2MAPTFASNMAPK14PPARG
SCHEMBL1140297 0.90 FASN (0.49) DDR2FASNMAPK14SLC2A1PPARG
SCHEMBL6364860 0.89 DDR2 (0.49) DDR2FASNMAPK14RAB9AL3MBTL1
SCHEMBL1140747 0.89 MAPK14 (0.51) DDR2FASNMAPK14RAB9AL3MBTL1
SCHEMBL6343937 0.88 DDR2 (0.47) DDR2KDM4EMAPTFASNMAPK14

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-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 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 (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-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO DDR2 704/4885KDM4E 1129/4885MAPT 4520/4885

“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.