SCHEMBL15380428

SCHEMBL15380428

O=C(O)CCCCc1nc2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2nc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.66
▸ POLB P06746 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 5/20 0.47
▸ GAA P10253 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 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
SCHEMBL15378297 0.94 KMT2A (0.62) KMT2APOLBSMN1; SMN2MEN1MAPT
SCHEMBL10210430 0.92 KMT2A (0.56) KMT2APOLBSMN1; SMN2MEN1MAPT
SCHEMBL9953910 0.90 HPGD (0.57) KMT2APOLBSMN1; SMN2MEN1MAPT
SCHEMBL9959515 0.86 HPGD (0.53) KMT2APOLBSMN1; SMN2MEN1MAPT
SCHEMBL15378608 0.86 KMT2A (0.53) KMT2APOLBSMN1; SMN2MEN1MAPT
SCHEMBL15377688 0.85 MAPT (0.49) KMT2APOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL15384722 0.85 HPGD (0.51) KMT2APOLBSMN1; SMN2MEN1MAPT
SCHEMBL9953214 0.84 TP53 (0.59) KMT2APOLBSMN1; SMN2MEN1MAPT
SCHEMBL10210593 0.84 TP53 (0.62) KMT2APOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL10211725 0.84 MAPT (0.50) KMT2APOLBSMN1; SMN2MEN1MAPT

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 6 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
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 KMT2A 1098/4885POLB 3546/4885SMN1; SMN2 4127/4885

“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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