SCHEMBL2805747

SCHEMBL2805747

Cc1ccc(F)c(S(=O)(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 9/20 0.42
TP53 P04637 2/20 0.40
MAPT P10636 4/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
MEN1 O00255 1/20 0.37
MKNK1 Q9BUB5 2/20 0.36
LMNA P02545 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
SCHEMBL2804197 0.90 ALDH1A1 (0.46) MAPTKMT2AL3MBTL1MEN1LMNA
SCHEMBL2805902 0.89 SGK1 (0.41) SGK1ALOX5APFEN1KMT2AL3MBTL1
SCHEMBL12316156 0.88 SGK1 (0.40) SGK1MAPTKMT2AL3MBTL1LMNA
SCHEMBL2802794 0.88 SMN1; SMN2 (0.41) MAPTKMT2ALMNA
SCHEMBL12316157 0.86 SGK1 (0.35) SGK1MAPTALOX5APFEN1
SCHEMBL2802866 0.86 KMT2A (0.55) SGK1MAPTALOX5APFEN1KMT2A
SCHEMBL2805945 0.85 MCOLN3 (0.48) MAPTPOLBKMT2AFGFR1FGFR2
SCHEMBL2805031 0.84 MKNK1 (0.45) SGK1ALOX5APFEN1KMT2AL3MBTL1
SCHEMBL2803297 0.84 ALOX5AP (0.37) SGK1TP53MAPTALOX5APFEN1
SCHEMBL2807743 0.84 EPHX2 (0.41) ALOX5APFEN1KMT2AFGFR1FGFR2

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 1977/4885TP53 14/4885MAPT 3332/4885

“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.