Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802866

SCHEMBL2802866

SCHEMBL2802866

O=S(=O)(c1ccccc1F)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ALOX5AP P20292 1/20 0.45
▸ FEN1 P39748 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SGK1 O00141 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL2807747 0.88 PKM (0.44) KMT2AL3MBTL1ALOX5APFEN1TDP1
SCHEMBL2802816 0.88 MKNK1 (0.46) KMT2AL3MBTL1ALOX5APFEN1MAPT
SCHEMBL2803967 0.87 HTR6 (0.43) KMT2AL3MBTL1ALOX5APFEN1LMNA
SCHEMBL2805150 0.87 ALOX5AP (0.39) KMT2AL3MBTL1ALOX5APFEN1LMNA
SCHEMBL2805902 0.87 SGK1 (0.41) KMT2AL3MBTL1ALOX5APFEN1SGK1
SCHEMBL2808972 0.87 KMT2A (0.48) KMT2AL3MBTL1ALOX5APFEN1LMNA
SCHEMBL2806269 0.86 MKNK1 (0.42) KMT2AL3MBTL1ALOX5APFEN1LMNA
SCHEMBL2805747 0.86 SGK1 (0.42) KMT2AL3MBTL1ALOX5APFEN1LMNA
SCHEMBL2805031 0.86 MKNK1 (0.45) KMT2AL3MBTL1ALOX5APFEN1SGK1
SCHEMBL2803134 0.86 HTR6 (0.43) 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 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 KMT2A 1795/4885L3MBTL1 4308/4885ALOX5AP 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.