SCHEMBL2802816

SCHEMBL2802816

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 11/20 0.46
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PAK1 Q13153 2/20 0.38
KDM2B Q8NHM5 1/20 0.37
PKLR P30613 1/20 0.37
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36

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
SCHEMBL2807743 0.90 EPHX2 (0.41) MKNK1ALOX5APFEN1KMT2AFGFR1
SCHEMBL2805084 0.90 EPHX2 (0.41) MKNK1ALOX5APFEN1FGFR1FGFR2
SCHEMBL2805031 0.90 MKNK1 (0.45) MKNK1ALOX5APFEN1KMT2AL3MBTL1
SCHEMBL2806269 0.90 MKNK1 (0.42) MKNK1ALOX5APFEN1KMT2AL3MBTL1
SCHEMBL2803297 0.88 ALOX5AP (0.37) MKNK1ALOX5APFEN1KMT2AALDH1A1
SCHEMBL2802866 0.88 KMT2A (0.55) ALOX5APFEN1KMT2AL3MBTL1PKM
SCHEMBL2803231 0.85 MEN1 (0.51) KMT2AL3MBTL1PKMMAPT
SCHEMBL2805902 0.85 SGK1 (0.41) MKNK1ALOX5APFEN1KMT2AL3MBTL1
SCHEMBL2802706 0.85 ALOX5AP (0.38) MKNK1ALOX5APFEN1KMT2AL3MBTL1
SCHEMBL2805747 0.84 SGK1 (0.42) MKNK1ALOX5APFEN1KMT2AL3MBTL1

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 MKNK1 1446/4885ALOX5AP 1674/4885FEN1 4287/4885

“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.