SCHEMBL3640284

SCHEMBL3640284

Cc1ccc(CNc2nc(N)c3c(Cc4ccc(F)cc4)cccc3n2)o1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
APP P05067 8/20 0.39
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
DHFR P00374 2/20 0.35
DCPS Q96C86 2/20 0.35
NTRK1 P04629 1/20 0.35
MAPK14 Q16539 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
Hydrochloric Acid SCHEMBL3640353 0.85 APP (0.46) NPC1RAB9AAPPCTNNB1TCF7L2
SCHEMBL20564674 0.83 KCNH3 (0.50) APPCTNNB1TCF7L2ADORA3ADORA2A
SCHEMBL21542012 0.78 HTR7 (0.41) APPCTNNB1TCF7L2DHFRDCPS
SCHEMBL3638423 0.78 KCNH3 (0.47) APPCTNNB1TCF7L2DHFRDCPS
Hydrochloric Acid SCHEMBL3779550 0.77 KCNH3 (0.50) NPC1RAB9ATSHRTP53
Hydrochloric Acid SCHEMBL27786609 0.73 DHFR (0.56) DHFRDCPS
SCHEMBL3642615 0.73 APP (0.57) APPCTNNB1TCF7L2ADORA2ANTRK1
Hydrochloric Acid SCHEMBL28787474 0.73 DHFR (0.49) DHFRDCPS
SCHEMBL3641769 0.72 APP (0.60) APPCTNNB1TCF7L2TP53NTRK1
Hydrochloric Acid SCHEMBL3641674 0.72 APP (0.45) APPCTNNB1TCF7L2DHFRDCPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US disclosed
EP-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 EP disclosed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 WO 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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 NPC1 1894/4885RAB9A 783/4885APP 3840/4885

“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.