SCHEMBL9953234

SCHEMBL9953234

O=C(O)CCCCc1nc2cc(C(=O)N3CCC(c4ccccc4)CC3)ccc2nc1-c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 7/20 0.55
▸ HPGD P15428 5/20 0.52
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ FASN P49327 1/20 0.43
▸ CDH1 P12830 1/20 0.43
▸ APC P25054 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ TCF7L2 Q9NQB0 1/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ CCR5 P51681 1/20 0.42

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
SCHEMBL15378190 0.97 NAMPT (0.56) NAMPTHPGDALDH1A1MAPTTP53
SCHEMBL9960873 0.95 NAMPT (0.56) NAMPTHPGDALDH1A1MAPTTP53
SCHEMBL15378495 0.95 NAMPT (0.56) NAMPTHPGDALDH1A1MAPTTP53
SCHEMBL9954266 0.95 NAMPT (0.56) NAMPTHPGDALDH1A1MAPTTP53
SCHEMBL15377806 0.94 HPGD (0.59) NAMPTHPGDALDH1A1MAPT
SCHEMBL9952920 0.94 NAMPT (0.63) NAMPTHPGDTP53FASN
SCHEMBL15377890 0.94 NAMPT (0.63) NAMPTHPGDTP53FASN
SCHEMBL18945222 0.92 NAMPT (0.51) NAMPTHPGDALDH1A1MAPTTP53
SCHEMBL9954158 0.92 HPGD (0.51) NAMPTHPGDALDH1A1MAPTFASN
SCHEMBL9953713 0.92 NAMPT (0.67) NAMPTHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661428-B1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2017-06-07 — — EP claimed
US-9469615-B2 Quinoxalines and AZA-quinoxalines as CRTH2 receptor modulators MERCK SHARP & DOHME CORP. (US) 2016-10-18 — — US claimed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 — — US claimed
EP-2661428-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS Merck Sharp & Dohme Corp. (US) 2013-11-13 — — EP claimed
WO-2012087861-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-06-28 — — WO claimed
EP-2661428-B1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2017-06-07 — — EP disclosed
EP-2661428-B1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2017-06-07 — — EP disclosed
US-9469615-B2 Quinoxalines and AZA-quinoxalines as CRTH2 receptor modulators MERCK SHARP & DOHME CORP. (US) 2016-10-18 — — US disclosed
US-9469615-B2 Quinoxalines and AZA-quinoxalines as CRTH2 receptor modulators MERCK SHARP & DOHME CORP. (US) 2016-10-18 — — US disclosed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 — — US disclosed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 — — US disclosed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 — — US 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-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS HRH2, NPY2R, CNKSR1 NAMPT 1490/4885HPGD 664/4885ALDH1A1 1713/4885

“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.

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