SCHEMBL2803023

SCHEMBL2803023

CSc1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
NPC1 O15118 8/20 0.54
RAB9A P51151 8/20 0.54
PAK1 Q13153 3/20 0.45
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL2806855 0.88 PAK1 (0.43) MAPTNPC1RAB9APAK1CASP3
SCHEMBL2805561 0.88 KDR (0.51) NPC1RAB9APAK1CASP3SENP8
SCHEMBL2806850 0.87 RAB9A (0.60) MAPTNPC1RAB9APAK1CASP3
SCHEMBL2805002 0.86 PAK1 (0.60) MAPTNPC1RAB9APAK1CASP3
SCHEMBL2806010 0.86 TRPV1 (0.56) MAPTNPC1RAB9APAK1CASP3
SCHEMBL2803952 0.86 TRPV1 (0.56) MAPTNPC1RAB9APAK1CASP3
SCHEMBL2486602 0.85 RAB9A (0.55) NPC1RAB9APAK1MEN1KMT2A
SCHEMBL2802299 0.85 NPC1 (0.61) MAPTNPC1RAB9APAK1SMN1; SMN2
SCHEMBL2487737 0.85 NPC1 (0.49) NPC1RAB9APAK1CASP3SENP8
SCHEMBL2487956 0.84 NPC1 (0.48) MAPTNPC1RAB9APAK1CASP3

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 MAPT 3332/4885NPC1 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.