Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803134

SCHEMBL2803134

SCHEMBL2803134

O=S(=O)(c1cccc(Cl)c1F)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.43
▸ CHRM1 P11229 1/20 0.41
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SGK1 O00141 3/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ AKR1C3 P42330 2/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ MET P08581 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 2/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ MAPK1 P28482 2/20 0.34

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
SCHEMBL2804081 0.90 HTR6 (0.53) HTR6CHRM1KMT2ASGK1SCN9A
SCHEMBL2803967 0.90 HTR6 (0.43) HTR6ALOX5APFEN1KMT2AL3MBTL1
SCHEMBL2803593 0.89 MAPK1 (0.46) HTR6CHRM1ALOX5APFEN1KMT2A
SCHEMBL2809144 0.88 HTR6 (0.43) HTR6ALOX5APFEN1SGK1SCN9A
SCHEMBL2805453 0.87 MET (0.46) HTR6KMT2ASCN9ALMNASMN1; SMN2
SCHEMBL2802866 0.86 KMT2A (0.55) ALOX5APFEN1KMT2AL3MBTL1SGK1
SCHEMBL2805084 0.84 EPHX2 (0.41) HTR6ALOX5APFEN1SGK1AKR1C3
SCHEMBL2805902 0.83 SGK1 (0.41) ALOX5APFEN1KMT2AL3MBTL1SGK1
SCHEMBL2802706 0.83 ALOX5AP (0.38) HTR6ALOX5APFEN1KMT2AL3MBTL1
SCHEMBL2807747 0.83 PKM (0.44) ALOX5APFEN1KMT2AL3MBTL1SCN9A

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 HTR6 697/4885CHRM1 4582/4885ALOX5AP 1674/4885

“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.