Sugi Predict

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SCHEMBL2805764

SCHEMBL2805764

O=S(=O)(c1cc(Cl)sc1Cl)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.45
▸ EPHX2 P34913 1/20 0.39
▸ SCN9A Q15858 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ S100A9 P06702 3/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SGK1 O00141 3/20 0.33
▸ SPR P35270 1/20 0.33
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ MKNK1 Q9BUB5 2/20 0.31
▸ APP P05067 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.30

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
SCHEMBL2806936 0.82 L3MBTL1 (0.54) PKMSCN9ACYP1A2CYP2D6CYP2C9
SCHEMBL2804490 0.82 HSD11B1 (0.42) PKMSCN9AHTR6RPS6KB1
SCHEMBL2806857 0.82 PKM (0.48) PKML3MBTL1SGK1
SCHEMBL2803967 0.81 HTR6 (0.43) SCN9AALOX5APFEN1L3MBTL1HTR6
SCHEMBL2806789 0.81 TMEM97 (0.43) SCN9AFAAHRPS6KB1
SCHEMBL2805985 0.81 KMT2A (0.39) EPHX2FGFR1FGFR2HTR6RPS6KB1
SCHEMBL2805902 0.81 SGK1 (0.41) PKMSCN9AALOX5APFEN1L3MBTL1
SCHEMBL2802706 0.81 ALOX5AP (0.38) EPHX2SCN9AALOX5APFEN1L3MBTL1
SCHEMBL12316157 0.80 SGK1 (0.35) SCN9AALOX5APFEN1SGK1HTR6
SCHEMBL2805031 0.80 MKNK1 (0.45) PKMSCN9AALOX5APFEN1L3MBTL1

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 6 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

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 PKM 1722/4885EPHX2 2353/4885SCN9A 3955/4885

“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.