SCHEMBL4184002

SCHEMBL4184002

O=CN(Cc1cccnc1)c1cnc(-c2ccc(F)c(F)c2)nc1NCCc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.43
CYP3A4 P08684 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PGK1 P00558 1/20 0.35
HIF1A Q16665 1/20 0.35
VNN1 O95497 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE5A O76074 2/20 0.34
NAMPT P43490 1/20 0.34
PDE10A Q9Y233 1/20 0.34
THRB P10828 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL4179058 0.93 GBA1 (0.40) GBA1CYP3A4CYP1A2PGK1HIF1A
SCHEMBL4185582 0.92 GBA1 (0.39) GBA1CYP1A2PGK1HIF1AGRIN1
SCHEMBL4178985 0.91 GBA1 (0.39) GBA1CYP1A2PGK1HIF1AGRIN1
SCHEMBL1631867 0.89 GBA1 (0.40) GBA1CYP3A4CYP1A2CYP2D6PGK1
SCHEMBL4183066 0.86 CYP3A4 (0.39) GBA1CYP3A4CYP1A2CYP2D6HIF1A
SCHEMBL4183367 0.84 CYP2C19 (0.37) GBA1CYP3A4CYP1A2CYP2D6PGK1
SCHEMBL4176452 0.83 PGK1 (0.42) GBA1PGK1HIF1AGRIN1GRIN2B
SCHEMBL1631003 0.83 GBA1 (0.43) GBA1CYP3A4CYP1A2CYP2D6HIF1A
SCHEMBL4176016 0.81 GBA1 (0.38) GBA1CYP1A2PGK1HIF1AGRIN1
SCHEMBL1631715 0.79 GBA1 (0.41) GBA1CYP1A2CYP2D6HIF1A

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 3801/4885CYP3A4 1936/4885CYP1A2 1639/4885

“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.