SCHEMBL2803726

SCHEMBL2803726

O=C(NCc1ccncc1)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.50
ROCK2 O75116 5/20 0.43
GRK2 P25098 3/20 0.43
PRKCA P17252 2/20 0.43
TP53 P04637 1/20 0.43
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GRK5 P34947 1/20 0.42
GRK3 P35626 1/20 0.42
GRK7 Q8WTQ7 1/20 0.42
ROCK1 Q13464 1/20 0.42
PARP1 P09874 1/20 0.41
LMNA P02545 1/20 0.41

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 0.94 TP53 (0.47) NAMPTROCK2GRK2PRKCATP53
SCHEMBL2483910 0.92 NAMPT (0.51) NAMPTROCK2TP53PDGFRBKDR
SCHEMBL2804114 0.91 NAMPT (0.47) NAMPTTP53PDGFRBKDRNPC1
SCHEMBL2804050 0.89 NAMPT (0.52) NAMPTROCK2GRK2PRKCATP53
SCHEMBL2802876 0.89 PAK1 (0.48) NAMPTPDGFRBKDRNPC1RAB9A
SCHEMBL2490140 0.88 NAMPT (0.53) NAMPTTP53PDGFRBKDRNPC1
SCHEMBL2483703 0.88 NPC1 (0.46) NAMPTPDGFRBKDRNPC1RAB9A
SCHEMBL2805000 0.87 NAMPT (0.55) NAMPTPDGFRBKDRNPC1RAB9A
SCHEMBL2804019 0.86 NAMPT (0.50) NAMPTROCK2GRK2PDGFRBKDR
SCHEMBL2804033 0.86 NPC1 (0.42) NAMPTROCK2PDGFRBKDRNPC1

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 1391/4885GRK2 1392/4885

“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.