SCHEMBL2804559

SCHEMBL2804559

O=C(Nc1ccc2ccccc2c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
PDGFRB P09619 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ROCK2 O75116 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PAK1 Q13153 1/20 0.43

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
SCHEMBL2486602 0.88 RAB9A (0.55) TRPV1NPC1RAB9APDGFRBKDM4E
SCHEMBL2803935 0.86 NPC1 (0.58) TRPV1NPC1RAB9AROCK2PAK1
SCHEMBL2802809 0.85 PDGFRB (0.62) TRPV1NPC1RAB9APDGFRBROCK2
SCHEMBL2805093 0.85 PAK1 (0.44) TRPV1NPC1RAB9AROCK2PAK1
SCHEMBL2806247 0.85 PDGFRB (0.52) NPC1RAB9APDGFRBPAK1
SCHEMBL2806010 0.84 TRPV1 (0.56) TRPV1NPC1RAB9APAK1
SCHEMBL2805561 0.84 KDR (0.51) TRPV1NPC1RAB9APDGFRBPAK1
SCHEMBL2805002 0.84 PAK1 (0.60) NPC1RAB9AKDM4ENPSR1PAK1
SCHEMBL2803952 0.84 TRPV1 (0.56) TRPV1NPC1RAB9AMKNK1NPSR1
SCHEMBL2488604 0.84 BRAF (0.52) TRPV1NPC1RAB9APDGFRBPAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 TRPV1 1732/4885NPC1 205/4885RAB9A 1240/4885

“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.