SCHEMBL1631111

SCHEMBL1631111

COc1cccc(-c2ccc(C(C(N)=O)c3cccnc3)c(NCCc3ccccn3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
KCNA5 P22460 1/20 0.42
SYK P43405 2/20 0.42
PTGDR Q13258 1/20 0.41
GBA1 P04062 1/20 0.40
PTAFR P25105 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ACP1 P24666 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PGK1 P00558 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL1631719 0.91 ACP1 (0.45) ADORA2AADORA1SYKPTGDRGBA1
SCHEMBL1632360 0.90 GBA1 (0.41) ADORA2AADORA1SYKGBA1PTAFR
SCHEMBL1632119 0.89 PIK3CA (0.42) ADORA2AADORA1GBA1PTAFRNPC1
SCHEMBL1630995 0.89 GBA1 (0.48) ADORA2AADORA1GBA1NPC1RAB9A
SCHEMBL1632857 0.88 GBA1 (0.41) ADORA2AADORA1KCNA5SYKGBA1
SCHEMBL1630133 0.88 GBA1 (0.41) ADORA2AADORA1KCNA5SYKGBA1
SCHEMBL1631586 0.88 GBA1 (0.40) KCNA5SYKGBA1NPC1RAB9A
SCHEMBL1630280 0.87 GBA1 (0.40) ADORA2AGBA1PTAFRNPC1RAB9A
SCHEMBL1632284 0.87 CSNK2A2 (0.46) KCNA5PTGDRPTAFRSMN1; SMN2MAPT
SCHEMBL1632598 0.86 GBA1 (0.41) ADORA2AADORA1SYKGBA1NPC1

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-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 ADORA2A 2369/4885ADORA1 2532/4885KCNA5 1825/4885

“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.