Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803935

SCHEMBL2803935

SCHEMBL2803935

Cc1ccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.58
▸ RAB9A P51151 6/20 0.58
▸ PAK1 Q13153 6/20 0.46
▸ TRPV1 Q8NER1 5/20 0.46
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HTT P42858 1/20 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
SCHEMBL2805561 0.88 KDR (0.51) NPC1RAB9APAK1TRPV1SMN1; SMN2
SCHEMBL2805093 0.87 PAK1 (0.44) NPC1RAB9APAK1TRPV1ROCK2
SCHEMBL2805547 0.86 TRPV1 (0.56) PAK1TRPV1SMN1; SMN2MAPTALDH1A1
SCHEMBL2804559 0.86 TRPV1 (0.46) NPC1RAB9APAK1TRPV1ROCK2
SCHEMBL12342043 0.85 MEN1 (0.55) PAK1TRPV1LMNAMAPTTAS1R3
SCHEMBL2806850 0.85 RAB9A (0.60) NPC1RAB9APAK1TRPV1LMNA
SCHEMBL2486602 0.85 RAB9A (0.55) NPC1RAB9APAK1TRPV1SMN1; SMN2
SCHEMBL2802864 0.85 KIT (0.46) NPC1RAB9APAK1SMN1; SMN2ALDH1A1
SCHEMBL2804209 0.85 TRPV1 (0.54) PAK1TRPV1LMNAMAPTPKM
SCHEMBL2803705 0.84 MAPT (0.51) PAK1TRPV1LMNAMAPT

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 1240/4885PAK1 717/4885

“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.