Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805398

SCHEMBL2805398

SCHEMBL2805398

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ SCN9A Q15858 1/20 0.38
▸ FGFR1 P11362 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ F12 P00748 2/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ RET P07949 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
SCHEMBL2809003 0.93 MAPT (0.44) MAPK1SCN9AFGFR1FGFR2ALDH1A1
SCHEMBL2805913 0.88 ALDH1A1 (0.41) SCN9AFGFR1FGFR2ALDH1A1CCNE1
SCHEMBL2803903 0.85 SCN9A (0.37) SCN9AFGFR1FGFR2ALDH1A1JAK1
SCHEMBL2805143 0.84 FAAH (0.38) MAPK1SCN9AFGFR1FGFR2JAK1
SCHEMBL2803516 0.83 HSD11B1 (0.40) ALDH1A1TSHR
SCHEMBL2806775 0.81 FAAH (0.51) SCN9AALDH1A1MAPTTSHRKMT2A
SCHEMBL2804811 0.81 PKM (0.44) ALDH1A1TSHR
SCHEMBL2805740 0.81 FAAH (0.38) SCN9AKMT2A
SCHEMBL2486484 0.81 MEN1 (0.51) SCN9AALDH1A1MAPTF12F2
SCHEMBL2803975 0.80 NPSR1 (0.43) MAPK1SCN9AALDH1A1MAPTNPC1

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 MAPK1 3253/4885SCN9A 3955/4885FGFR1 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.