SCHEMBL1138680

SCHEMBL1138680

COc1ccc2nc(OC)c(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
ALDH1A1 P00352 6/20 0.55
KMT2A Q03164 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 4/20 0.55
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT3 P36888 1/20 0.46
HTT P42858 2/20 0.46
SLC6A9 P48067 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4928598 1.00 MAPT (0.55) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL4928414 0.91 MAPT (0.55) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL4927285 0.91 MAPT (0.55) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL4916949 0.91 MAPT (0.54) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1138593 0.91 MAPT (0.54) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL4921644 0.90 MAPT (0.55) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL1138185 0.90 MAPT (0.55) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL4926671 0.90 MAPT (0.55) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL1138223 0.90 MAPT (0.55) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL1138407 0.87 MAPT (0.61) MAPTALDH1A1KMT2ASMN1; SMN2MEN1

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 9 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
EP-1819698-B1 1-[(6-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES REXAHN PHARMACEUTICALS INC (US) 2011-02-23 EP disclosed
US-20080318963-A1 1-[6,7-Substituted Alkoxyquinoxalinyl) Aminocarbonyl]-4-(Hetero) Arylpiperazine Derivatives REXAHN PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
CN-101068808-A 1- [ (6, 7-substituted-2-alkoxyquinoxalin-3-yl) aminocarbonyl ] -4- (hetero) arylpiperazine derivatives REXAHN PHARMACEUTICALS INC (US) 2007-11-07 CN 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 MAPT 4614/4885ALDH1A1 1028/4885KMT2A 549/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS MAPT 4577/4885ALDH1A1 663/4885KMT2A 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.