SCHEMBL4176016

SCHEMBL4176016

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
PGK1 P00558 1/20 0.38
HIF1A Q16665 1/20 0.38
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C19 P33261 1/20 0.36
NAMPT P43490 2/20 0.36
PDE10A Q9Y233 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TLR9 Q9NR96 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
JAK2 O60674 1/20 0.35
PTK2 Q05397 1/20 0.35
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 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
SCHEMBL4178985 0.86 GBA1 (0.39) GBA1PGK1HIF1ACYP1A2ALDH1A1
SCHEMBL4179058 0.83 GBA1 (0.40) GBA1PGK1HIF1ACYP1A2ALDH1A1
SCHEMBL4176452 0.83 PGK1 (0.42) GBA1PGK1HIF1AALDH1A1NAMPT
SCHEMBL4185582 0.82 GBA1 (0.39) GBA1PGK1HIF1ACYP1A2ALDH1A1
SCHEMBL4184002 0.81 GBA1 (0.43) GBA1PGK1HIF1ACYP1A2NAMPT
SCHEMBL13743048 0.78 SMN1; SMN2 (0.48) GBA1PGK1HIF1AALDH1A1NAMPT
SCHEMBL4183367 0.78 CYP2C19 (0.37) GBA1PGK1HIF1ACYP1A2ALDH1A1
SCHEMBL4176021 0.77 PDE10A (0.40) GBA1PGK1HIF1AHTR2CHTR7
SCHEMBL4183055 0.77 GBA1 (0.45) GBA1PGK1HIF1ACYP1A2NAMPT
SCHEMBL4183360 0.74 ALDH1A1 (0.48) PGK1CYP1A2ALDH1A1CYP2C19NAMPT

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 3801/4885PGK1 1620/4885HIF1A 3543/4885

“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.