Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803956

SCHEMBL2803956

SCHEMBL2803956

CS(=O)(=O)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ HPGDS O60760 1/20 0.35
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ ACHE P22303 2/20 0.34
▸ JAK1 P23458 3/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ ATRIP Q8WXE1 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ FGFR2 P21802 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
SCHEMBL2804986 0.88 PDE4B (0.35) HPGDSCA1CA2ACHEJAK1
SCHEMBL2805162 0.86 HPGDS (0.34) HPGDSCA1CA2ACHEJAK1
SCHEMBL2803517 0.85 RB1 (0.40) CA1CA2ACHETSHRSMN1; SMN2
SCHEMBL2802635 0.85 HDAC8 (0.38) CA1CA2ACHEJAK1JAK2
SCHEMBL2804951 0.83 ALDH1A1 (0.44) TSHRSMN1; SMN2
SCHEMBL2489862 0.82 RB1 (0.43) CA1CA2DRD2HTR2ADRD3
SCHEMBL2802723 0.82 PAK1 (0.37) CA1CA2ACHEPDE4BLMNA
SCHEMBL2803941 0.81 ALDH1A1 (0.49) LMNASMN1; SMN2
SCHEMBL2807827 0.81 PAK1 (0.36) CA1CA2ACHELMNA
SCHEMBL2805699 0.81 RB1 (0.52) JAK1JAK2DRD2HTR2ADRD3

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 MAPK8 2818/4885MAPK9 2693/4885MAPK10 2736/4885

“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.