SCHEMBL14587786

SCHEMBL14587786

Cc1cnc(CNC(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)[nH]n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
WDR5 P61964 2/20 0.41
PPARG P37231 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
NTRK1 P04629 4/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
PDE5A O76074 1/20 0.38
PTGES O14684 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
SCHEMBL14587694 0.87 RAB9A (0.56) NPC1RAB9APPARGNTRK1HTT
SCHEMBL14298519 0.85 NPC1 (0.43) NPC1RAB9APPARGNTRK1HTT
SCHEMBL14587681 0.85 NTRK1 (0.51) NPC1RAB9APPARGNTRK1PTGES
Hydrochloric Acid SCHEMBL5010487 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HTTRECQL
SCHEMBL14587693 0.83 RAB9A (0.46) NPC1RAB9AWDR5PPARGNTRK1
SCHEMBL14587696 0.83 ADORA2A (0.43) NPC1RAB9AWDR5PPARGNTRK1
SCHEMBL14587626 0.82 POLB (0.45) NPC1RAB9APPARGSMN1; SMN2NTRK1
SCHEMBL14299384 0.82 ALDH1A1 (0.44) NPC1RAB9APPARGNTRK1HTT
SCHEMBL14587621 0.82 NPC1 (0.39) NPC1RAB9APPARGNTRK1HTT
SCHEMBL14587784 0.82 NPC1 (0.41) NPC1RAB9APPARGNTRK1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL NPC1 2838/4885RAB9A 2748/4885WDR5 2601/4885

“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.