SCHEMBL2802633

SCHEMBL2802633

O=C(Nc1cccc(C(=O)N2CCN(c3cnccn3)CC2)c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.56
SLC6A7 Q99884 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 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
SCHEMBL2805199 0.91 NAMPT (0.54) NAMPT
SCHEMBL2802904 0.87 RAB9A (0.46) NAMPTNPC1RAB9A
SCHEMBL2487956 0.87 NPC1 (0.48) NAMPTNPC1RAB9A
SCHEMBL2487747 0.84 NAMPT (0.50) NAMPTNPC1RAB9A
SCHEMBL2487737 0.83 NPC1 (0.49) NPC1RAB9A
SCHEMBL2806850 0.83 RAB9A (0.60) NPC1RAB9A
SCHEMBL2807727 0.83 PAK1 (0.46) NAMPTNPC1RAB9A
SCHEMBL2804740 0.82 MEN1 (0.47) NAMPTNPC1RAB9A
SCHEMBL2805025 0.82 NPC1 (0.42) NAMPTNPC1RAB9A
SCHEMBL2488604 0.82 BRAF (0.52) NAMPTNPC1RAB9A

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 212/4885SLC6A7 982/4885NPC1 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.