SCHEMBL2803068

SCHEMBL2803068

Cn1cncc1CCNC(=O)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PAK1 Q13153 1/20 0.40
NAMPT P43490 12/20 0.39
PDGFRB P09619 4/20 0.39
KDR P35968 4/20 0.39
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL2804033 0.93 NPC1 (0.42) PRMT5WDR77NPC1RAB9APAK1
SCHEMBL2804019 0.86 NAMPT (0.50) NPC1RAB9ANAMPTPDGFRBKDR
SCHEMBL2483703 0.86 NPC1 (0.46) NPC1RAB9APAK1NAMPTPDGFRB
SCHEMBL2802581 0.85 NAMPT (0.55) NPC1RAB9APAK1NAMPTPDGFRB
SCHEMBL2805000 0.85 NAMPT (0.55) NPC1RAB9ANAMPTPDGFRBKDR
SCHEMBL2486314 0.84 NAMPT (0.46) NPC1RAB9APAK1NAMPTPDGFRB
SCHEMBL2806251 0.84 EPHX2 (0.47) NPC1RAB9APAK1NAMPTKDR
SCHEMBL2804093 0.83 NAMPT (0.51) NPC1RAB9APAK1NAMPTPDGFRB
SCHEMBL2806850 0.83 RAB9A (0.60) NPC1RAB9APAK1PDGFRBKDR
SCHEMBL2809546 0.83 NAMPT (0.55) NPC1RAB9ANAMPT

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 PRMT5 230/4885WDR77 3218/4885NPC1 205/4885

“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.