SCHEMBL10211338

SCHEMBL10211338

O=C(O)CCCCc1nc2cc(C(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)ccc2nc1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 6/20 0.48
▸ DRD2 P14416 2/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 5/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CDH1 P12830 1/20 0.40
▸ APC P25054 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ TCF7L2 Q9NQB0 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL15378133 0.94 TP53 (0.51) TP53MAPTALDH1A1HPGDCYP2C9
SCHEMBL10211674 0.90 MAPT (0.52) TP53MAPTALDH1A1HPGDCYP2C9
SCHEMBL10211741 0.89 MAPT (0.62) TP53MAPTALDH1A1HPGDCYP2C9
SCHEMBL15378459 0.89 TP53 (0.49) TP53MAPTALDH1A1HPGDCYP2C9
SCHEMBL10211319 0.89 MAPT (0.56) TP53MAPTALDH1A1HPGDCYP2C9
SCHEMBL15378410 0.88 NAMPT (0.47) TP53MAPTALDH1A1HPGDKDM4E
SCHEMBL9953214 0.88 TP53 (0.59) TP53MAPTALDH1A1HPGDKDM4E
SCHEMBL15378538 0.88 TP53 (0.64) TP53MAPTALDH1A1HPGDCDH1
SCHEMBL10211356 0.88 TACR3 (0.48) TP53MAPTDRD2ALDH1A1HPGD
SCHEMBL15377566 0.87 TP53 (0.47) TP53MAPTALDH1A1HPGDCYP2C9

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 TP53 2679/4885MAPT 4829/4885DRD2 1194/4885

“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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