Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805166

SCHEMBL2805166

SCHEMBL2805166

CC(C)[C@H](CO)NC(=O)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ PDGFRB P09619 7/20 0.43
▸ KDR P35968 7/20 0.43
▸ TRPV1 Q8NER1 3/20 0.41
▸ PAK1 Q13153 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ ROCK2 O75116 2/20 0.37
▸ 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
▸ BRD4 O60885 1/20 0.37
▸ EP300 Q09472 1/20 0.37
▸ CREBBP Q92793 1/20 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
SCHEMBL2804568 0.88 NPC1 (0.42) NPC1RAB9APDGFRBKDRTRPV1
SCHEMBL2805341 0.87 NPC1 (0.43) NPC1RAB9APDGFRBKDRTRPV1
SCHEMBL2802246 0.87 NAMPT (0.51) NPC1RAB9APDGFRBKDRTRPV1
SCHEMBL2806850 0.86 RAB9A (0.60) NPC1RAB9APDGFRBKDRTRPV1
SCHEMBL2483703 0.86 NPC1 (0.46) NPC1RAB9APDGFRBKDRTRPV1
SCHEMBL2488604 0.85 BRAF (0.52) NPC1RAB9APDGFRBKDRTRPV1
SCHEMBL2487737 0.84 NPC1 (0.49) NPC1RAB9APDGFRBKDRTRPV1
SCHEMBL2487449 0.84 NPC1 (0.50) NPC1RAB9APDGFRBKDRPAK1
SCHEMBL2805729 0.83 NPC1 (0.42) NPC1RAB9APDGFRBKDRTRPV1
SCHEMBL2487956 0.83 NPC1 (0.48) NPC1RAB9APDGFRBKDRPAK1

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 NPC1 205/4885RAB9A 1240/4885PDGFRB 1363/4885

“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.