SCHEMBL2805199

SCHEMBL2805199

O=C(Nc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.54
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
TIPARP Q7Z3E1 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2802633 0.91 NAMPT (0.56) NAMPT
SCHEMBL2802904 0.88 RAB9A (0.46) NAMPTALDH1A1HPGDMEN1KMT2A
SCHEMBL2487956 0.88 NPC1 (0.48) NAMPTKDM4EMEN1KMT2A
SCHEMBL2804740 0.88 MEN1 (0.47) NAMPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2487747 0.85 NAMPT (0.50) NAMPTMEN1KMT2A
SCHEMBL2488604 0.84 BRAF (0.52) NAMPTMEN1KMT2A
SCHEMBL2487737 0.84 NPC1 (0.49) MEN1KMT2A
SCHEMBL2806850 0.84 RAB9A (0.60) MEN1KMT2A
SCHEMBL2807727 0.83 PAK1 (0.46) NAMPT
SCHEMBL2490140 0.82 NAMPT (0.53) NAMPTALDH1A1MEN1KMT2A

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 212/4885ALDH1A1 460/4885KDM4E 1334/4885

“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.