SCHEMBL2807743

SCHEMBL2807743

Cc1cc(F)ccc1S(=O)(=O)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
CYP19A1 P11511 1/20 0.38
TDO2 P48775 1/20 0.38
MKNK1 Q9BUB5 9/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FAAH O00519 1/20 0.35
GRM4 Q14833 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL2803297 0.92 ALOX5AP (0.37) MKNK1ALOX5APFEN1FGFR1FGFR2
SCHEMBL2802816 0.90 MKNK1 (0.46) MKNK1ALOX5APFEN1FGFR1FGFR2
SCHEMBL2802794 0.90 SMN1; SMN2 (0.41) EPHX2KMT2A
SCHEMBL2805110 0.88 MAPT (0.37) EPHX2MKNK1ALOX5APFEN1FGFR1
SCHEMBL2805084 0.88 EPHX2 (0.41) EPHX2MKNK1ALOX5APFEN1FGFR1
SCHEMBL2805150 0.86 ALOX5AP (0.39) EPHX2ALOX5APFEN1FAAHMEN1
SCHEMBL2805747 0.84 SGK1 (0.42) MKNK1ALOX5APFEN1FGFR1FGFR2
SCHEMBL2804197 0.84 ALDH1A1 (0.46) MEN1KMT2A
SCHEMBL2803231 0.83 MEN1 (0.51) FAAHMEN1KMT2A
SCHEMBL2805985 0.83 KMT2A (0.39) EPHX2FGFR1FGFR2MEN1KMT2A

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 EPHX2 2353/4885CYP19A1 786/4885TDO2 2157/4885

“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.