Sugi Predict

Sugi Predict / Compounds / SCHEMBL2486919

SCHEMBL2486919

SCHEMBL2486919

COc1cccc(NC(=O)N2CCc3c(cnc4[nH]nc(Br)c34)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ HTT P42858 2/20 0.49
▸ FAAH O00519 2/20 0.46
▸ GPR142 Q7Z601 6/20 0.46
▸ EP300 Q09472 1/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ LIMK2 P53671 3/20 0.45
▸ LIMK1 P53667 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ THRB P10828 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
SCHEMBL2804674 0.90 BRS3 (0.50) NPC1RAB9AFAAHGPR142SMN1; SMN2
SCHEMBL2803761 0.86 RAB9A (0.52) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL2803893 0.86 NPC1 (0.42) NPC1RAB9AFAAHGPR142LIMK2
SCHEMBL2805115 0.84 NPC1 (0.53) NPC1RAB9AFAAHLIMK2LIMK1
SCHEMBL2802299 0.83 NPC1 (0.61) NPC1RAB9AHTTFAAHGPR142
SCHEMBL2511773 0.81 MAPT (0.43) NPC1RAB9ALMNA
SCHEMBL2802543 0.81 MAPT (0.43) NPC1RAB9AHTTLIMK2LIMK1
SCHEMBL2803749 0.78 THRB (0.53) NPC1RAB9ALIMK2LIMK1SMN1; SMN2
SCHEMBL12316284 0.77 NOTUM (0.40) EP300CREBBPMAPK1
SCHEMBL2487129 0.74 MAPT (0.46) MAPK1

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 1240/4885HTT 1191/4885

“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.