Sugi Predict

Sugi Predict / Compounds / SCHEMBL2809003

SCHEMBL2809003

SCHEMBL2809003

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ JAK2 O60674 4/20 0.39
▸ JAK3 P52333 3/20 0.39
▸ JAK1 P23458 3/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TYK2 P29597 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 0.93 MAPK1 (0.42) MAPTTSHRJAK2JAK3JAK1
SCHEMBL2805913 0.84 ALDH1A1 (0.41) JAK2JAK3JAK1SCN9AALDH1A1
SCHEMBL2803903 0.81 SCN9A (0.37) JAK2JAK3JAK1SCN9AALDH1A1
SCHEMBL2806757 0.80 TAOK1 (0.47) MAPTJAK2JAK3JAK1MAPK1
SCHEMBL2805143 0.80 FAAH (0.38) JAK3JAK1MAPK1SCN9ACHEK1
SCHEMBL2803516 0.79 HSD11B1 (0.40) TSHRALDH1A1
SCHEMBL2806775 0.78 FAAH (0.51) MAPTTSHRSCN9AALDH1A1KDM4E
SCHEMBL2804811 0.77 PKM (0.44) TSHRALDH1A1
SCHEMBL2486484 0.77 MEN1 (0.51) MAPTSCN9AALDH1A1KDM4EMEN1
SCHEMBL2803975 0.76 NPSR1 (0.43) MAPTMAPK1SCN9AALDH1A1KDM4E

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 MAPT 3332/4885TSHR 4751/4885JAK2 372/4885

“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.