SCHEMBL2807747

SCHEMBL2807747

O=S(=O)(c1c(F)cccc1F)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 10/20 0.44
PKLR P30613 4/20 0.44
SCN9A Q15858 2/20 0.42
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MET P08581 1/20 0.35
FLT3 P36888 1/20 0.35
MEN1 O00255 1/20 0.34
KDM2B Q8NHM5 1/20 0.34

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
SCHEMBL2802866 0.88 KMT2A (0.55) PKMSCN9AKMT2AL3MBTL1ALOX5AP
SCHEMBL2805453 0.87 MET (0.46) SCN9AKMT2ALMNAMETFLT3
SCHEMBL2805055 0.84 AKR1C3 (0.44) PKMPKLRKMT2ATDP1MEN1
SCHEMBL2803231 0.83 MEN1 (0.51) PKMKMT2AL3MBTL1LMNAMAPT
SCHEMBL2486484 0.83 MEN1 (0.51) PKMSCN9AKMT2AMAPTALDH1A1
SCHEMBL2805569 0.83 KMT2A (0.43) KMT2AALOX5APFEN1MAPTMEN1
SCHEMBL2803134 0.83 HTR6 (0.43) SCN9AKMT2AL3MBTL1ALOX5APFEN1
SCHEMBL2802816 0.82 MKNK1 (0.46) PKMPKLRKMT2AL3MBTL1ALOX5AP
SCHEMBL2805902 0.81 SGK1 (0.41) PKMSCN9AKMT2AL3MBTL1ALOX5AP
SCHEMBL2805747 0.81 SGK1 (0.42) KMT2AL3MBTL1ALOX5APFEN1LMNA

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 PKM 1722/4885PKLR 3022/4885SCN9A 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.