Sugi Predict

Sugi Predict / Compounds / SCHEMBL2487737

SCHEMBL2487737

SCHEMBL2487737

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.49
▸ RAB9A P51151 6/20 0.49
▸ FAAH O00519 1/20 0.47
▸ PAK1 Q13153 2/20 0.46
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ PDGFRB P09619 5/20 0.42
▸ KDR P35968 4/20 0.42
▸ TRPV1 Q8NER1 4/20 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
SCHEMBL2488604 0.93 BRAF (0.52) NPC1RAB9APAK1TP53SMN1; SMN2
SCHEMBL2806850 0.92 RAB9A (0.60) NPC1RAB9APAK1SMN1; SMN2CASP3
SCHEMBL2802904 0.89 RAB9A (0.46) NPC1RAB9APAK1TP53CASP3
SCHEMBL2487956 0.89 NPC1 (0.48) NPC1RAB9APAK1CASP3SENP8
SCHEMBL2486602 0.89 RAB9A (0.55) NPC1RAB9APAK1TP53SMN1; SMN2
SCHEMBL2804404 0.89 PAK1 (0.47) NPC1RAB9APAK1SMN1; SMN2KDR
SCHEMBL2803966 0.89 PAK1 (0.47) NPC1RAB9APAK1SMN1; SMN2KDR
SCHEMBL2487449 0.88 NPC1 (0.50) NPC1RAB9APAK1TP53BRAF
SCHEMBL2483703 0.88 NPC1 (0.46) NPC1RAB9AFAAHPAK1CASP3
SCHEMBL2486603 0.88 TP53 (0.47) NPC1RAB9AFAAHTP53BRAF

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 9 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
EP-2379551-A1 SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 — — EP 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
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 1240/4885FAAH 3078/4885

“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.