SCHEMBL2804019

SCHEMBL2804019

O=C(NCCc1ccccc1)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.50
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PDGFRB P09619 1/20 0.45
KDR P35968 1/20 0.45
ROCK2 O75116 1/20 0.42
GRK2 P25098 1/20 0.42

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
SCHEMBL2486603 0.93 TP53 (0.47) NAMPTLMNANPC1RAB9APDGFRB
SCHEMBL2802581 0.92 NAMPT (0.55) NAMPTNPC1RAB9APDGFRBKDR
SCHEMBL2805000 0.92 NAMPT (0.55) NAMPTNPC1RAB9APDGFRBKDR
SCHEMBL2804018 0.90 NAMPT (0.48) NAMPTNPC1RAB9AROCK2
SCHEMBL2483703 0.90 NPC1 (0.46) NAMPTNPC1RAB9APDGFRBKDR
SCHEMBL2488604 0.89 BRAF (0.52) NAMPTNPC1RAB9APDGFRBKDR
SCHEMBL2802660 0.89 NAMPT (0.53) NAMPTNPC1RAB9APDGFRBKDR
SCHEMBL2487737 0.87 NPC1 (0.49) NPC1RAB9APDGFRBKDR
SCHEMBL2509057 0.87 NAMPT (0.57) NAMPTLMNANPC1RAB9A
SCHEMBL2809546 0.87 NAMPT (0.55) NAMPTNPC1RAB9AROCK2

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 212/4885LMNA 1591/4885NPC1 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.