SCHEMBL4929561

SCHEMBL4929561

COc1ccc2nc(NC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c(OC)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 2/20 0.46
THRB P10828 1/20 0.46
PANK3 Q9H999 1/20 0.46
MLLT1 Q03111 1/20 0.45
S1PR2 O95136 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
PTPN7 P35236 1/20 0.44
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL1138412 1.00 MAPT (0.48) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL4916949 0.93 MAPT (0.54) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1138593 0.93 MAPT (0.54) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1138244 0.90 MAPT (0.56) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL4927205 0.90 MAPT (0.56) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1138769 0.90 MAPT (0.58) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL4922702 0.90 MAPT (0.58) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL4917906 0.90 SMN1; SMN2 (0.57) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1138087 0.90 SMN1; SMN2 (0.57) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1138407 0.89 MAPT (0.61) MAPTALDH1A1KMT2ASMN1; SMN2LMNA

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 8 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
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.