SCHEMBL9959422

SCHEMBL9959422

O=C(O)CCCCc1nc2cc(C(=O)N3CCC[C@@H](c4ccccc4)C3)ccc2nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.54
▸ NAMPT P43490 7/20 0.53
▸ ALDH1A1 P00352 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PROKR1 Q8TCW9 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ROCK2 O75116 1/20 0.45

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
SCHEMBL15377965 1.00 HPGD (0.54) HPGDNAMPTALDH1A1TSHRMAPT
SCHEMBL9959420 1.00 HPGD (0.54) HPGDNAMPTALDH1A1TSHRMAPT
SCHEMBL10211280 0.96 NAMPT (0.58) HPGDNAMPTALDH1A1MAPTROCK2
SCHEMBL9954048 0.96 NAMPT (0.58) HPGDNAMPTALDH1A1MAPTROCK2
SCHEMBL10210157 0.96 NAMPT (0.58) HPGDNAMPTALDH1A1MAPTROCK2
SCHEMBL15378826 0.94 NAMPT (0.51) HPGDNAMPTALDH1A1TSHRPROKR1
SCHEMBL15378425 0.94 NAMPT (0.51) HPGDNAMPTALDH1A1TSHRPROKR1
SCHEMBL15378288 0.94 NAMPT (0.51) HPGDNAMPTALDH1A1TSHRPROKR1
SCHEMBL9954393 0.92 HPGD (0.53) HPGDNAMPTALDH1A1MAPT
SCHEMBL10211219 0.91 NAMPT (0.65) HPGDNAMPTALDH1A1MAPT

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 13 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
WO-2012087861-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-06-28 — — 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-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS HRH2, NPY2R, CNKSR1 HPGD 664/4885NAMPT 1490/4885ALDH1A1 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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