SCHEMBL10211689

SCHEMBL10211689

Cc1ccccc1N1CCN(C(=O)c2ccc3nc(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 6/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ CASP1 P29466 2/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL10211319 0.92 MAPT (0.56) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL15378410 0.91 NAMPT (0.47) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL15378991 0.91 NAMPT (0.49) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL10211685 0.91 HPGD (0.47) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL9959515 0.89 HPGD (0.53) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL15378322 0.89 NAMPT (0.45) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL15379002 0.89 NAMPT (0.45) MAPTALDH1A1HPGDKDM4EKMT2A
SCHEMBL10087067 0.88 MAPT (0.43) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL15378608 0.88 KMT2A (0.53) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL15379131 0.87 TP53 (0.50) MAPTALDH1A1HPGDKDM4EHTT

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
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-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 MAPT 4829/4885ALDH1A1 1713/4885HPGD 664/4885

“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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