SCHEMBL1624867

SCHEMBL1624867

Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1-c1nc(-c2ccccc2)c(C)[nH]1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.54
BRAF P15056 5/20 0.54
ROCK1 Q13464 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
MAPK14 Q16539 5/20 0.51
DGAT1 O75907 1/20 0.50
FGFR1 P11362 1/20 0.49
DDR2 Q16832 1/20 0.49
RPS6KA2 Q15349 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL1625768 0.91 MTOR (0.51) ROCK1NPC1TP53PKMMAPK1
SCHEMBL1623606 0.84 RAF1 (0.55) RAF1BRAFROCK1NPC1TP53
SCHEMBL1140199 0.79 RAF1 (0.67) RAF1BRAFROCK1NPC1TP53
SCHEMBL2345369 0.78 RARB (0.66) RAF1BRAFROCK1NPC1TP53
SCHEMBL1624435 0.77 RAF1 (0.49) RAF1BRAFNPC1TP53PKM
SCHEMBL12459071 0.77 NPC1 (0.74) RAF1BRAFNPC1TP53PKM
SCHEMBL1624641 0.77 MAPT (0.51) RAF1BRAFNPC1TP53PKM
SCHEMBL1624683 0.76 RAF1 (0.50) RAF1BRAFNPC1TP53PKM
SCHEMBL1624986 0.76 MAPT (0.52) RAF1BRAFNPC1TP53PKM
SCHEMBL2346857 0.75 MAPT (0.64) RAF1BRAFROCK1NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US claimed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US claimed
EP-2044065-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2009-04-08 EP claimed
WO-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 WO claimed
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US disclosed
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US disclosed
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
EP-2044065-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2009-04-08 EP disclosed
WO-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 WO disclosed
WO-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 WO 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-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS GLI1, SHH, SMO RAF1 449/4885BRAF 328/4885ROCK1 432/4885

“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.