Sugi Predict

Sugi Predict / Compounds / SCHEMBL2486302

SCHEMBL2486302

SCHEMBL2486302

O=C(c1ccccc1)N1CCc2cnc3[nH]ncc3c2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ STAT3 P40763 1/20 0.44
▸ RAB9A P51151 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CRBN Q96SW2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ AVPR2 P30518 1/20 0.39
▸ AVPR1A P37288 1/20 0.39

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
SCHEMBL2488513 0.85 NPC1 (0.54) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL2487929 0.77 PSEN1 (0.47) ALDH1A1STAT3SMN1; SMN2KMT2AMEN1
SCHEMBL7337254 0.73 AVPR2 (0.52) HPGDALDH1A1STAT3RAB9ASMN1; SMN2
SCHEMBL2485132 0.71 PTGS1 (0.45) HPGDLMNACCNE2CCNE1CDK2
SCHEMBL8820724 0.70 AVPR2 (0.52) HPGDALDH1A1STAT3RAB9ASMN1; SMN2
SCHEMBL31556814 0.69 HPGD (1.00) HPGDALDH1A1STAT3RAB9ASMN1; SMN2
SCHEMBL5783412 0.69 HPGD (1.00) HPGDALDH1A1STAT3RAB9ASMN1; SMN2
SCHEMBL842907 0.68 HPGD (0.64) HPGDALDH1A1STAT3RAB9ASMN1; SMN2
SCHEMBL2488134 0.67 BRD4 (0.40) LMNACCNE2CCNE1CDK2ROCK2
SCHEMBL7333632 0.67 AVPR2 (0.64) AVPR2AVPR1A

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 HPGD 87/4885ALDH1A1 460/4885STAT3 2257/4885

“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.