Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802706

SCHEMBL2802706

SCHEMBL2802706

O=S(=O)(c1cc(F)c(Cl)cc1F)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ FGFR1 P11362 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MKNK1 Q9BUB5 5/20 0.34
▸ MGLL Q99685 2/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HTR6 P50406 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ SGK1 O00141 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2805902 0.88 SGK1 (0.41) ALOX5APFEN1KMT2AL3MBTL1MKNK1
SCHEMBL2805031 0.87 MKNK1 (0.45) ALOX5APFEN1KMT2AL3MBTL1MKNK1
SCHEMBL2805084 0.85 EPHX2 (0.41) ALOX5APFEN1FGFR1FGFR2MKNK1
SCHEMBL2802816 0.85 MKNK1 (0.46) ALOX5APFEN1FGFR1FGFR2KMT2A
SCHEMBL2803134 0.83 HTR6 (0.43) ALOX5APFEN1FGFR1FGFR2KMT2A
SCHEMBL2805747 0.83 SGK1 (0.42) ALOX5APFEN1FGFR1FGFR2KMT2A
SCHEMBL2806269 0.83 MKNK1 (0.42) ALOX5APFEN1FGFR1FGFR2KMT2A
SCHEMBL2804490 0.83 HSD11B1 (0.42) KMT2AHTR6MAPTSCN9AALDH1A1
SCHEMBL2806857 0.83 PKM (0.48) KMT2AL3MBTL1MAPTSGK1ALDH1A1
SCHEMBL2803967 0.82 HTR6 (0.43) ALOX5APFEN1KMT2AL3MBTL1HTR6

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 ALOX5AP 1674/4885FEN1 4287/4885FGFR1 762/4885

“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.