SCHEMBL1631191

SCHEMBL1631191

Cn1cc(-c2nc(NCCc3cccc(F)c3)c(N(C=O)Cc3cccnc3)cc2Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.42
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
WNT1 P04628 2/20 0.34
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
PDPK1 O15530 1/20 0.34
RPS6KB1 P23443 1/20 0.34
PKM P14618 1/20 0.33
PIK3CD O00329 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
CCNT1 O60563 1/20 0.33
EP300 Q09472 2/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL1632561 0.92 GBA1 (0.41) GBA1OPRM1OPRD1CSNK2A2CSNK2A1
SCHEMBL1629802 0.92 GBA1 (0.41) GBA1OPRM1OPRD1CSNK2A2CSNK2A1
SCHEMBL1632669 0.89 GBA1 (0.39) GBA1OPRM1OPRD1CSNK2A2CSNK2A1
SCHEMBL1631375 0.87 GBA1 (0.42) GBA1OPRM1OPRD1CSNK2A2CSNK2A1
SCHEMBL1631686 0.85 GBA1 (0.43) GBA1OPRM1OPRD1CSNK2A2CSNK2A1
SCHEMBL1857750 0.82 GBA1 (0.42) GBA1OPRM1OPRD1CSNK2A2CSNK2A1
SCHEMBL1882016 0.81 GBA1 (0.43) GBA1OPRM1OPRD1CSNK2A2CSNK2A1
SCHEMBL1632327 0.81 GBA1 (0.42) GBA1OPRM1OPRD1CSNK2A2CSNK2A1
SCHEMBL12724314 0.80 GBA1 (0.44) GBA1CSNK2A2CSNK2A1PDPK1RPS6KB1
SCHEMBL1631470 0.79 PDPK1 (0.35) GBA1PDPK1RPS6KB1EP300MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 GBA1 4031/4885OPRM1 1013/4885OPRD1 3277/4885

“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.