Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804050

SCHEMBL2804050

SCHEMBL2804050

COc1ccc(CNC(=O)c2cccc(NC(=O)N3CCc4c(cnc5[nH]ncc45)C3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 9/20 0.52
▸ ROCK2 O75116 1/20 0.45
▸ PRKCA P17252 1/20 0.45
▸ GRK2 P25098 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ PAK1 Q13153 1/20 0.44
▸ PRKAB2 O43741 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ PRKAG3 Q9UGI9 1/20 0.43
▸ PRKAG2 Q9UGJ0 1/20 0.43
▸ PRKAB1 Q9Y478 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43

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 0.91 TP53 (0.47) NAMPTROCK2PRKCAGRK2NPC1
SCHEMBL2804114 0.90 NAMPT (0.47) NAMPTNPC1RAB9AMAPK1TP53
SCHEMBL2803726 0.89 NAMPT (0.50) NAMPTROCK2PRKCAGRK2NPC1
SCHEMBL2804018 0.88 NAMPT (0.48) NAMPTROCK2NPC1RAB9A
SCHEMBL2802876 0.86 PAK1 (0.48) NAMPTNPC1RAB9AMAPK1PAK1
SCHEMBL2483910 0.86 NAMPT (0.51) NAMPTROCK2TP53MAPT
SCHEMBL2802299 0.85 NPC1 (0.61) NPC1RAB9AMAPK1TP53PAK1
SCHEMBL2483703 0.85 NPC1 (0.46) NAMPTNPC1RAB9APAK1TRPV1
SCHEMBL2804475 0.85 TP53 (0.46) NAMPTNPC1RAB9ATP53PAK1
SCHEMBL2490140 0.84 NAMPT (0.53) NAMPTNPC1RAB9ATP53

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 1391/4885PRKCA 2300/4885

“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.