Sugi Predict

Sugi Predict / Compounds / SCHEMBL1126700

SCHEMBL1126700

SCHEMBL1126700

CCOC(=O)c1cn(Cc2ccc(-c3cn[nH]c3)cn2)c2c(F)ccc(F)c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.42
▸ HTT P42858 2/20 0.40
▸ STAT3 P40763 1/20 0.38
▸ ROCK2 O75116 7/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ GNRHR P30968 2/20 0.35

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
SCHEMBL1482039 0.85 CHRM1 (0.41) CHRM1HTTSTAT3KDM4EALDH1A1
SCHEMBL1482397 0.83 CHRM1 (0.45) CHRM1HTTSTAT3KDM4EALDH1A1
SCHEMBL6691224 0.75 TDP1 (0.55) CHRM1HTTSTAT3KDM4EALDH1A1
SCHEMBL8010229 0.74 CHRM1 (0.53) CHRM1KDM4EALDH1A1
SCHEMBL3234568 0.74 CHRM1 (0.51) CHRM1HTTSTAT3KDM4EALDH1A1
SCHEMBL1931751 0.72 CHRM1 (0.60) CHRM1HTTSTAT3KDM4EALDH1A1
SCHEMBL14747226 0.72 CHRM1 (0.50) CHRM1HTTSTAT3KDM4EALDH1A1
SCHEMBL16378027 0.72 CHRM1 (0.76) CHRM1HTTSTAT3KDM4EALDH1A1
SCHEMBL1481951 0.71 LMNA (0.48) CHRM1STAT3KDM4EALDH1A1KMT2A
SCHEMBL3234195 0.71 CHRM1 (0.58) CHRM1HTTSTAT3KDM4EALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293914-B2 4-OXO,1-4-dihydroquinoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 — — US disclosed
US-8293914-B2 4-OXO,1-4-dihydroquinoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 — — US disclosed
US-8293914-B2 4-OXO,1-4-dihydroquinoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 — — US disclosed
US-20110077220-A1 4-OXO,1-4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. 2011-03-31 — — US disclosed
US-20110077220-A1 4-OXO,1-4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. 2011-03-31 — — US disclosed
US-20110077220-A1 4-OXO,1-4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. 2011-03-31 — — US disclosed
EP-2283015-A2 4-OXO-1,4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2011-02-16 — — EP disclosed
WO-2009134668-A2 4-OXO-1,4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-11-05 — — 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-20110077220-A1 4-OXO,1-4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRM1, OPRL1 CHRM1 1/4885HTT 872/4885STAT3 2650/4885

“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.