SCHEMBL2805950

SCHEMBL2805950

N#Cc1ccc(-c2n[nH]c3ncc4c(c23)CCN(C(=O)Nc2ccccc2)C4)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.47
ROCK2 O75116 8/20 0.45
FAAH O00519 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
PDGFRB P09619 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40

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
SCHEMBL2512524 0.91 NPC1 (0.51) NAMPTROCK2NPC1TP53RAB9A
SCHEMBL2804192 0.84 ROCK2 (0.43) NAMPTROCK2NPC1TP53RAB9A
SCHEMBL2804580 0.82 FAAH (0.47) NAMPTROCK2FAAHNPC1TP53
SCHEMBL12316013 0.81 NAMPT (0.52) NAMPTROCK2NPC1TP53RAB9A
SCHEMBL2488267 0.81 NPC1 (0.47) NAMPTROCK2NPC1TP53RAB9A
Hydrochloric Acid SCHEMBL2513170 0.81 NAMPT (0.52) NAMPTROCK2NPC1TP53RAB9A
SCHEMBL2804159 0.80 TRPV1 (0.49) NAMPTROCK2FAAHNPC1TP53
SCHEMBL2805115 0.80 NPC1 (0.53) NAMPTFAAHNPC1RAB9ATHRB
SCHEMBL2803991 0.80 NAMPT (0.44) NAMPTROCK2NPC1TP53RAB9A
SCHEMBL2803761 0.80 RAB9A (0.52) NAMPTROCK2NPC1TP53RAB9A

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 NAMPT 212/4885ROCK2 1391/4885FAAH 3078/4885

“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.