SCHEMBL1631986

SCHEMBL1631986

NCc1ccsc1-c1ccc(N(C=O)Cc2cccnc2)c(NCCc2cccc(F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
CSNK2A2 P19784 2/20 0.36
CSNK2A1 P68400 2/20 0.36
PKM P14618 1/20 0.35
CCNT1 O60563 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
PRKCQ Q04759 1/20 0.32
MAPT P10636 2/20 0.32
ROCK1 Q13464 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1D1 P20393 1/20 0.31
NR1H3 Q13133 1/20 0.31
CYP3A4 P08684 1/20 0.31
RPS6KB1 P23443 1/20 0.31
AKT1 P31749 1/20 0.31

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
SCHEMBL1629785 0.92 GBA1 (0.41) GBA1CSNK2A2CSNK2A1PKMCCNT1
SCHEMBL1632025 0.89 GBA1 (0.40) GBA1CSNK2A2CSNK2A1PKMCCNT1
SCHEMBL1631366 0.86 GBA1 (0.40) GBA1CSNK2A2CSNK2A1PKMCCNT1
SCHEMBL1630719 0.85 GBA1 (0.42) GBA1CSNK2A2CSNK2A1PKMCCNT1
SCHEMBL1631166 0.85 CCNT1 (0.41) GBA1CSNK2A2CSNK2A1PKMCCNT1
SCHEMBL1632160 0.84 GBA1 (0.49) GBA1CSNK2A2CSNK2A1PKMCCNT1
SCHEMBL1631853 0.83 GBA1 (0.42) GBA1CSNK2A2CSNK2A1PKMCCNT1
SCHEMBL1632634 0.83 CCNT1 (0.40) GBA1CSNK2A2CSNK2A1PKMCCNT1
SCHEMBL1632672 0.83 GBA1 (0.48) GBA1CSNK2A2CSNK2A1PKMCCNT1
SCHEMBL1631784 0.83 GBA1 (0.52) GBA1CSNK2A2CSNK2A1PKMCCNT1

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-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 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 4031/4885CSNK2A2 595/4885CSNK2A1 835/4885

“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.