Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804603

SCHEMBL2804603

SCHEMBL2804603

O=C(NCc1ccccc1C(F)(F)F)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ GRK2 P25098 5/20 0.43
▸ ROCK2 O75116 5/20 0.42
▸ GRK3 P35626 3/20 0.42
▸ GRK5 P34947 2/20 0.42
▸ GRK1 Q15835 2/20 0.42
▸ GRK7 Q8WTQ7 2/20 0.42
▸ PRKCA P17252 2/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ PRKCG P05129 1/20 0.42
▸ PRKCB P05771 1/20 0.42
▸ PRKCH P24723 1/20 0.42
▸ PRKCI P41743 1/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ PRKCZ Q05513 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ PRKD1 Q15139 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
SCHEMBL2804818 0.90 NAMPT (0.51) PDGFRBKDRROCK2NPC1RAB9A
SCHEMBL2804475 0.89 TP53 (0.46) PDGFRBKDRNPC1RAB9ATRPV1
SCHEMBL2486603 0.87 TP53 (0.47) PDGFRBKDRGRK2ROCK2PRKCA
SCHEMBL2490140 0.85 NAMPT (0.53) PDGFRBKDRNPC1RAB9ATP53
SCHEMBL2483703 0.84 NPC1 (0.46) PDGFRBKDRNPC1RAB9ABRAF
SCHEMBL2803726 0.84 NAMPT (0.50) PDGFRBKDRGRK2ROCK2GRK3
SCHEMBL2488604 0.83 BRAF (0.52) PDGFRBKDRNPC1RAB9ABRAF
SCHEMBL2804114 0.83 NAMPT (0.47) PDGFRBKDRNPC1RAB9ATRPV1
SCHEMBL2804019 0.83 NAMPT (0.50) PDGFRBKDRGRK2ROCK2NPC1
SCHEMBL2483910 0.82 NAMPT (0.51) PDGFRBKDRROCK2TP53

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 PTGES 1032/4885PDGFRB 1363/4885KDR 2521/4885

“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.