SCHEMBL2805902

SCHEMBL2805902

O=S(=O)(c1cc(Cl)ccc1F)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 13/20 0.41
HMOX1 P09601 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MKNK1 Q9BUB5 2/20 0.38
PKM P14618 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL2805031 0.93 MKNK1 (0.45) SGK1HMOX1ALOX5APFEN1KMT2A
SCHEMBL2806857 0.91 PKM (0.48) SGK1KMT2AL3MBTL1PKM
SCHEMBL2805747 0.89 SGK1 (0.42) SGK1ALOX5APFEN1KMT2AL3MBTL1
SCHEMBL2804490 0.89 HSD11B1 (0.42) KMT2APKMSCN9A
SCHEMBL2802706 0.88 ALOX5AP (0.38) SGK1HMOX1ALOX5APFEN1KMT2A
SCHEMBL2802866 0.87 KMT2A (0.55) SGK1ALOX5APFEN1KMT2AL3MBTL1
SCHEMBL2805084 0.85 EPHX2 (0.41) SGK1ALOX5APFEN1MKNK1
SCHEMBL2802816 0.85 MKNK1 (0.46) ALOX5APFEN1KMT2AL3MBTL1MKNK1
SCHEMBL2804112 0.84 KMT2A (0.44) KMT2AL3MBTL1MKNK1PKM
SCHEMBL2805569 0.84 KMT2A (0.43) HMOX1ALOX5APFEN1KMT2A

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 SGK1 1977/4885HMOX1 593/4885ALOX5AP 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.