SCHEMBL2804933

SCHEMBL2804933

Cc1cc(CNC(=O)c2cccc(NC(=O)N3CCc4c(cnc5[nH]ncc45)C3)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.49
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PDGFRB P09619 5/20 0.40
KDR P35968 5/20 0.40
CSNK2A1 P68400 1/20 0.40
ROCK2 O75116 4/20 0.39
PAK1 Q13153 1/20 0.38
LMNA P02545 1/20 0.38
PRKACA P17612 2/20 0.37
PRKACG P22612 2/20 0.37
PRKACB P22694 2/20 0.37
LIMK1 P53667 2/20 0.37
LIMK2 P53671 2/20 0.37

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
SCHEMBL2490140 0.87 NAMPT (0.53) NAMPTNPC1RAB9APDGFRBKDR
SCHEMBL2804475 0.86 TP53 (0.46) NAMPTNPC1RAB9APDGFRBKDR
SCHEMBL2486603 0.86 TP53 (0.47) NAMPTNPC1RAB9APDGFRBKDR
SCHEMBL2483703 0.85 NPC1 (0.46) NAMPTNPC1RAB9APDGFRBKDR
SCHEMBL2803726 0.84 NAMPT (0.50) NAMPTNPC1RAB9APDGFRBKDR
SCHEMBL2804114 0.84 NAMPT (0.47) NAMPTNPC1RAB9APDGFRBKDR
SCHEMBL2806850 0.84 RAB9A (0.60) NPC1RAB9APDGFRBKDRPAK1
SCHEMBL2486314 0.83 NAMPT (0.46) NAMPTNPC1RAB9APDGFRBKDR
SCHEMBL2804050 0.83 NAMPT (0.52) NAMPTNPC1RAB9AROCK2PAK1
SCHEMBL2804033 0.83 NPC1 (0.42) NAMPTNPC1RAB9APDGFRBKDR

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 212/4885NPC1 205/4885RAB9A 1240/4885

“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.