SCHEMBL10212166

SCHEMBL10212166

O=C(O)CCCCc1nc2cc(C(=O)Nc3ccc(F)cc3)ccc2nc1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.52
CXCR1 P25024 1/20 0.48
CXCR2 P25025 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL15378701 0.92 MAPT (0.46) NAMPTCXCR1CXCR2MAPTNPC1
SCHEMBL15378864 0.92 NAMPT (0.48) NAMPTMAPTNPC1RAB9AKDM4E
SCHEMBL9952967 0.89 NAMPT (0.53) NAMPTMAPT
SCHEMBL10211286 0.89 ALDH1A1 (0.60) NAMPTMAPTNPC1RAB9AKDM4E
SCHEMBL18945666 0.88 NAMPT (0.52) NAMPTMAPT
SCHEMBL10212165 0.88 NPSR1 (0.49) NAMPTMAPTNPC1RAB9AKDM4E
SCHEMBL9953722 0.86 MAPT (0.62) NAMPTMAPT
SCHEMBL15377371 0.86 NAMPT (0.51) NAMPTMAPT
SCHEMBL15383443 0.86 NAMPT (0.51) NAMPTMAPTNPC1RAB9A
SCHEMBL10212233 0.85 NAMPT (0.48) NAMPT

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
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 NAMPT 1490/4885CXCR1 47/4885CXCR2 92/4885

“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.