SCHEMBL4185586

SCHEMBL4185586

NC(=O)C(c1ccncc1)c1cnc(-c2ccc(F)c(F)c2)nc1NCCc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
NAMPT P43490 2/20 0.39
PDE10A Q9Y233 2/20 0.38
HIF1A Q16665 1/20 0.37
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
JAK3 P52333 1/20 0.35
PGK1 P00558 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
GRM2 Q14416 1/20 0.35
KCNH2 Q12809 1/20 0.34
PDPK1 O15530 1/20 0.34
GRIN1 Q05586 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
SCHEMBL4184004 0.92 GBA1 (0.44) GBA1NAMPTPDE10AHIF1AHTR2C
SCHEMBL4178991 0.90 NAMPT (0.40) GBA1NAMPTPDE10AHIF1AHTR2C
SCHEMBL4183379 0.84 STAT6 (0.38) GBA1JAK3CSNK2A2CSNK2A1
SCHEMBL4176021 0.83 PDE10A (0.40) GBA1NAMPTPDE10AHIF1AHTR2C
SCHEMBL1631871 0.81 GBA1 (0.40) GBA1NAMPTPDE10AHIF1AHTR2C
SCHEMBL4176455 0.81 PGK1 (0.40) GBA1NAMPTPDE10AHIF1AHTR2C
SCHEMBL4183055 0.79 GBA1 (0.45) GBA1NAMPTPDE10AHIF1ARAB9A
SCHEMBL13743494 0.78 NAMPT (0.43) GBA1NAMPTNPC1RAB9APDPK1
SCHEMBL1631017 0.78 HIF1A (0.43) GBA1PDE10AHIF1ANPC1RAB9A
SCHEMBL4183372 0.77 STAT6 (0.38) GBA1HIF1AJAK3

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 3801/4885NAMPT 2602/4885PDE10A 168/4885

“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.