SCHEMBL4185997

SCHEMBL4185997

O=CN(Cc1cccnc1)c1cnc(-c2cn[nH]c2)nc1NCCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.46
CSNK2A2 P19784 2/20 0.39
CSNK2A1 P68400 2/20 0.39
CCNT1 O60563 1/20 0.36
PKM P14618 1/20 0.35
ROCK2 O75116 4/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
ROCK1 Q13464 1/20 0.34
LRRK2 Q5S007 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
PDE5A O76074 1/20 0.34
CDC7 O00311 1/20 0.34

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
SCHEMBL4179062 0.88 KDM4E (0.43) GBA1CSNK2A2CSNK2A1ROCK2ROCK1
SCHEMBL1632637 0.88 GBA1 (0.43) GBA1CSNK2A2CSNK2A1CCNT1PKM
SCHEMBL1630619 0.87 GBA1 (0.42) GBA1CSNK2A2CSNK2A1CCNT1PKM
SCHEMBL1631686 0.86 GBA1 (0.43) GBA1CSNK2A2CSNK2A1CCNT1PKM
SCHEMBL1884307 0.80 GBA1 (0.46) GBA1CSNK2A2CSNK2A1CCNT1PKM
SCHEMBL1632672 0.80 GBA1 (0.48) GBA1CSNK2A2CSNK2A1CCNT1PKM
SCHEMBL4183066 0.79 CYP3A4 (0.39) GBA1KDM4EPDE5A
SCHEMBL1632160 0.79 GBA1 (0.49) GBA1CSNK2A2CSNK2A1CCNT1PKM
SCHEMBL1631784 0.78 GBA1 (0.52) GBA1CSNK2A2CSNK2A1CCNT1PKM
SCHEMBL13743506 0.78 GBA1 (0.49) GBA1CSNK2A2CSNK2A1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090198057-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INCORPORATED 2009-08-06 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-20090198057-A1 Certain Chemical Entities, Compositions, and Methods MYLK, MYH2, MYH10 GBA1 3801/4885CSNK2A2 534/4885CSNK2A1 714/4885

“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.