SCHEMBL2805031

SCHEMBL2805031

O=S(=O)(c1ccc(Cl)cc1F)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 9/20 0.45
ALDH1A1 P00352 1/20 0.44
SCN9A Q15858 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HMOX1 P09601 1/20 0.38
SGK1 O00141 4/20 0.37
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL2805902 0.93 SGK1 (0.41) MKNK1SCN9AALOX5APFEN1KMT2A
SCHEMBL2804490 0.90 HSD11B1 (0.42) ALDH1A1SCN9AKMT2APKMRPS6KB1
SCHEMBL2802816 0.90 MKNK1 (0.46) MKNK1ALDH1A1ALOX5APFEN1KMT2A
SCHEMBL2806269 0.88 MKNK1 (0.42) MKNK1ALDH1A1SCN9AALOX5APFEN1
SCHEMBL2806857 0.88 PKM (0.48) ALDH1A1KMT2AL3MBTL1SGK1PKM
SCHEMBL2802706 0.87 ALOX5AP (0.38) MKNK1ALDH1A1SCN9AALOX5APFEN1
SCHEMBL2805084 0.86 EPHX2 (0.41) MKNK1ALOX5APFEN1SGK1
SCHEMBL2802866 0.86 KMT2A (0.55) ALDH1A1SCN9AALOX5APFEN1KMT2A
SCHEMBL2805747 0.84 SGK1 (0.42) MKNK1ALOX5APFEN1KMT2AL3MBTL1
SCHEMBL2804112 0.83 KMT2A (0.44) MKNK1KMT2AL3MBTL1PKM

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 MKNK1 1446/4885ALDH1A1 460/4885SCN9A 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.