SCHEMBL4920573

SCHEMBL4920573

COc1cc2nc(NC(=O)N3CCN(c4cccc(Br)c4)CC3)c(OC)nc2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
PDGFRB P09619 8/20 0.47
PDGFRA P16234 3/20 0.47
KIT P10721 1/20 0.47
FLT3 P36888 1/20 0.47
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HTR1A P08908 2/20 0.45
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 1/20 0.45
RBP4 P02753 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43

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
SCHEMBL4929616 0.92 GAA (0.45) MAPTPDGFRBPDGFRAKITFLT3
SCHEMBL6560277 0.92 KMT2A (0.48) MAPTLMNAHSD17B10USP2TP53
SCHEMBL4929649 0.91 LMNA (0.44) MAPTLMNAHSD17B10USP2TP53
SCHEMBL4918673 0.91 GAA (0.51) MAPTLMNAHSD17B10USP2TP53
SCHEMBL4928758 0.90 GAA (0.56) MAPTPDGFRBLMNAHSD17B10USP2
SCHEMBL4928336 0.89 CA12 (0.53) MAPTPDGFRBLMNAHSD17B10USP2
SCHEMBL4917890 0.89 RBP4 (0.55) MAPTPDGFRBLMNATP53POLB
SCHEMBL6562248 0.87 KMT2A (0.47) MAPTLMNAHSD17B10USP2TP53
SCHEMBL27709553 0.86 MAPT (0.46) MAPTPDGFRBLMNAHSD17B10USP2
SCHEMBL4931896 0.85 PDGFRB (0.49) MAPTPDGFRBPDGFRAKITFLT3

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 4614/4885PDGFRB 826/4885PDGFRA 692/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS MAPT 4577/4885PDGFRB 1056/4885PDGFRA 770/4885

“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.