SCHEMBL4916560

SCHEMBL4916560

COc1ccc2nc(NC(=O)N3CCN(c4ccccc4)CC3)c(OC)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
MAPT P10636 5/20 0.52
KMT2A Q03164 4/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 2/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
TP53 P04637 1/20 0.50
SLC1A2 P43004 1/20 0.49
PDGFRB P09619 2/20 0.48
RBP4 P02753 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
HCRTR1 O43613 1/20 0.47
USP2 O75604 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
SCHEMBL1138338 1.00 HTT (0.52) HTTMAPTKMT2AMAPK1L3MBTL1
SCHEMBL1138404 0.94 KMT2A (0.56) HTTMAPTKMT2AMAPK1L3MBTL1
SCHEMBL4928483 0.94 KMT2A (0.56) HTTMAPTKMT2AMAPK1L3MBTL1
SCHEMBL4916949 0.94 MAPT (0.54) MAPTKMT2AMAPK1L3MBTL1GAA
SCHEMBL1138593 0.94 MAPT (0.54) MAPTKMT2AMAPK1L3MBTL1GAA
SCHEMBL4925380 0.92 MAPT (0.46) HTTMAPTKMT2AMAPK1L3MBTL1
SCHEMBL4928471 0.92 MAPT (0.46) HTTMAPTKMT2AMAPK1L3MBTL1
SCHEMBL3442752 0.90 ALDH1A1 (0.53) HTTMAPTKMT2AMAPK1L3MBTL1
SCHEMBL4920619 0.90 CA12 (0.52) MAPTKMT2AMAPK1L3MBTL1GAA
SCHEMBL1138048 0.90 CA12 (0.52) MAPTKMT2AMAPK1L3MBTL1GAA

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
CN-103524436-A 1-[(3-alkoxy-6-substituted-quinoxalin-2-yl)aminocarbonyl]-4-(hetero)arylpiperazine derivatives REXAHN PHARMACEUTICALS INC 2014-01-22 CN disclosed
US-8598173-B2 1-[(6,7-substituted alkoxyquinoxalinyl)aminocarbonyl]-4-(hetero)arylpiperazine derivatives for treating tumors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-12-03 US disclosed
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES REXAHN PHARMACEUTICALS, INC. 2013-02-28 US disclosed
US-8314100-B2 1-[6,7-substituted alkoxyquinoxalinyl)aminocarbonyl]-4-(hetero)arylpiperazine derivatives REXAHN PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-20080318963-A1 1-[6,7-Substituted Alkoxyquinoxalinyl) Aminocarbonyl]-4-(Hetero) Arylpiperazine Derivatives REXAHN PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
EP-1819698-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES Rexahn Pharmaceuticals, Inc. (US) 2007-08-22 EP disclosed
WO-2006054830-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES REXAHN PHARMACEUTICALS, INC. (US) 2006-05-26 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 (2 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-20080318963-A1 1-[6,7-Substituted Alkoxyquinoxalinyl) Aminocarbonyl]-4-(Hetero) Arylpiperazine Derivatives HRAS, CDK4, KRAS HTT 1736/4885MAPT 4614/4885KMT2A 549/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS HTT 1530/4885MAPT 4577/4885KMT2A 814/4885

“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.