SCHEMBL4184004

SCHEMBL4184004

NC(=O)C(c1cccnc1)c1cnc(-c2ccc(F)c(F)c2)nc1NCCc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.44
NAMPT P43490 2/20 0.38
PDE10A Q9Y233 2/20 0.37
THRB P10828 1/20 0.37
JAK3 P52333 1/20 0.36
HIF1A Q16665 1/20 0.36
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
PGK1 P00558 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
VNN1 O95497 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
SCHEMBL4185586 0.92 GBA1 (0.39) GBA1NAMPTPDE10AJAK3HIF1A
SCHEMBL1631871 0.89 GBA1 (0.40) GBA1NAMPTPDE10ATHRBJAK3
SCHEMBL4178991 0.88 NAMPT (0.40) GBA1NAMPTPDE10AJAK3HIF1A
SCHEMBL4183068 0.85 PTAFR (0.39) GBA1JAK3HIF1AMEN1KMT2A
SCHEMBL1631004 0.83 GBA1 (0.43) GBA1NAMPTPDE10AJAK3HIF1A
SCHEMBL4176021 0.81 PDE10A (0.40) GBA1NAMPTPDE10AJAK3HIF1A
SCHEMBL1631717 0.80 KDM4E (0.42) GBA1JAK3HIF1ANPC1RAB9A
SCHEMBL1632209 0.80 ALDH1A1 (0.40) GBA1JAK3HIF1AHTR2CHTR7
SCHEMBL1632857 0.80 GBA1 (0.41) GBA1NAMPTPDE10AJAK3HIF1A
SCHEMBL1630995 0.79 GBA1 (0.48) GBA1PDE10AJAK3HIF1ANPC1

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.