Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805913

SCHEMBL2805913

SCHEMBL2805913

CS(=O)(=O)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ ATR Q13535 2/20 0.39
▸ ATRIP Q8WXE1 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ FGFR1 P11362 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ JAK2 O60674 5/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ F12 P00748 5/20 0.33
▸ JAK1 P23458 4/20 0.33
▸ RET P07949 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ PI4K2B Q8TCG2 1/20 0.33
▸ PI4K2A Q9BTU6 1/20 0.33

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
SCHEMBL2805398 0.88 MAPK1 (0.42) ALDH1A1ATRATRIPSCN9AFGFR1
SCHEMBL2803903 0.86 SCN9A (0.37) ALDH1A1ATRATRIPSCN9AFGFR1
SCHEMBL2805143 0.85 FAAH (0.38) ATRATRIPSCN9AFGFR1FGFR2
SCHEMBL2809003 0.84 MAPT (0.44) ALDH1A1SCN9AFGFR1FGFR2JAK2
SCHEMBL2804811 0.82 PKM (0.44) ALDH1A1
SCHEMBL2486484 0.82 MEN1 (0.51) ALDH1A1SCN9AESR2F12F2
SCHEMBL2803975 0.81 NPSR1 (0.43) ALDH1A1SCN9A
SCHEMBL2805150 0.81 ALOX5AP (0.39) SCN9AESR1ESR2
SCHEMBL2804112 0.80 KMT2A (0.44) —
SCHEMBL2806789 0.80 TMEM97 (0.43) SCN9A

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 ALDH1A1 460/4885ATR 3049/4885ATRIP 2543/4885

“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.