Sugi Predict

Sugi Predict / Compounds / SCHEMBL2807735

SCHEMBL2807735

SCHEMBL2807735

O=C(Nc1cccc2nsnc12)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.45
▸ KDM4E B2RXH2 6/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ TRPV1 Q8NER1 3/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ NPC1 O15118 6/20 0.39
▸ RAB9A P51151 6/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.39
▸ TAS1R1 Q7RTX1 2/20 0.39
▸ TAS1R2 Q8TE23 2/20 0.39
▸ HPGD P15428 4/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38

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
SCHEMBL2805634 0.82 KDM4E (0.61) KDM4ETAAR1TRPV1PAK1ALDH1A1
SCHEMBL2804401 0.81 PAK1 (0.59) FAAHKDM4ETAAR1TRPV1PAK1
SCHEMBL2804570 0.80 PAK1 (0.49) KDM4ETAAR1TRPV1PAK1NPC1
SCHEMBL2806132 0.79 PAK1 (0.44) KDM4ETAAR1TRPV1PAK1NPC1
SCHEMBL2486602 0.78 RAB9A (0.55) KDM4ETRPV1PAK1NPC1RAB9A
SCHEMBL2808039 0.78 PAK1 (0.46) KDM4ETAAR1TRPV1PAK1NPC1
SCHEMBL2485492 0.78 RAB9A (0.47) KDM4ETAAR1TRPV1PAK1NPC1
SCHEMBL2804020 0.77 PDGFRB (0.47) KDM4ETAAR1TRPV1PAK1NPC1
SCHEMBL2802218 0.77 TRPV1 (0.43) KDM4ETRPV1PAK1NPC1RAB9A
SCHEMBL2805271 0.76 MAPK1 (0.61) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2

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 FAAH 3078/4885KDM4E 1334/4885TAAR1 4868/4885

“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.