SCHEMBL4183055

SCHEMBL4183055

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.45
HIF1A Q16665 1/20 0.44
NAMPT P43490 2/20 0.44
PDE10A Q9Y233 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
JAK3 P52333 1/20 0.41
PGK1 P00558 1/20 0.40
TLR9 Q9NR96 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
CYP1A2 P05177 1/20 0.38
RAB9A P51151 1/20 0.38
PDPK1 O15530 1/20 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
SCHEMBL13743051 0.89 NAMPT (0.46) NAMPTSMN1; SMN2HTTKDM4EHPGD
SCHEMBL13743157 0.88 KDM4E (0.45) GBA1NAMPTHTTKDM4EHPGD
SCHEMBL13743048 0.87 SMN1; SMN2 (0.48) GBA1HIF1ANAMPTPDE10ASMN1; SMN2
SCHEMBL4183360 0.87 ALDH1A1 (0.48) NAMPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL13743477 0.85 NAMPT (0.45) NAMPTSMN1; SMN2KDM4EHPGDJAK3
SCHEMBL13743494 0.85 NAMPT (0.43) GBA1NAMPTSMN1; SMN2HTTKDM4E
SCHEMBL4181449 0.83 GBA1 (0.46) GBA1NAMPTHTTKMT2AKDM4E
SCHEMBL4178991 0.81 NAMPT (0.40) GBA1HIF1ANAMPTPDE10ASMN1; SMN2
SCHEMBL4176021 0.81 PDE10A (0.40) GBA1HIF1ANAMPTPDE10ASMN1; SMN2
SCHEMBL4185586 0.79 GBA1 (0.39) GBA1HIF1ANAMPTPDE10AMEN1

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-20090198057-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INCORPORATED 2009-08-06 US disclosed
US-20090198057-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INCORPORATED 2009-08-06 US disclosed
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 3801/4885HIF1A 3543/4885NAMPT 2602/4885

“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.