Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802616

SCHEMBL2802616

SCHEMBL2802616

O=S(=O)(c1ccc(Br)cc1Br)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.39
▸ AKR1C3 P42330 3/20 0.35
▸ MKNK1 Q9BUB5 4/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ PAK1 Q13153 3/20 0.33
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ FAAH O00519 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL2806269 0.90 MKNK1 (0.42) MKNK1SCN9AALOX5APFEN1TSHR
SCHEMBL2805110 0.90 MAPT (0.37) EPHX2AKR1C3MKNK1SCN9AALOX5AP
SCHEMBL2803927 0.88 PKM (0.41) EPHX2AKR1C3MKNK1SCN9AALOX5AP
SCHEMBL2804301 0.85 GAA (0.50) TSHRHTTFGFR1FGFR2LMNA
SCHEMBL12316157 0.82 SGK1 (0.35) SCN9AALOX5APFEN1TSHRFAAH
SCHEMBL2802794 0.82 SMN1; SMN2 (0.41) EPHX2TSHRLMNA
SCHEMBL2802816 0.82 MKNK1 (0.46) MKNK1ALOX5APFEN1PAK1FGFR1
SCHEMBL2804490 0.82 HSD11B1 (0.42) SCN9ATSHRHTTPAK1
SCHEMBL2805084 0.80 EPHX2 (0.41) EPHX2AKR1C3MKNK1ALOX5APFEN1
SCHEMBL2805031 0.80 MKNK1 (0.45) MKNK1SCN9AALOX5APFEN1

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 2353/4885AKR1C3 1802/4885MKNK1 1446/4885

“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.