SCHEMBL4928352

SCHEMBL4928352

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
LMNA P02545 5/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 2/20 0.51
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR6 P50406 1/20 0.48
KMT2A Q03164 5/20 0.48
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
GAA P10253 2/20 0.47
RBP4 P02753 1/20 0.47
CA1 P00915 1/20 0.47
STS P08842 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
SCHEMBL1138407 1.00 MAPT (0.61) MAPTLMNAALDH1A1TP53HTR1A
SCHEMBL4922578 0.94 MAPT (0.61) MAPTLMNAALDH1A1TP53HTR1A
SCHEMBL1138013 0.94 MAPT (0.61) MAPTLMNAALDH1A1TP53HTR1A
SCHEMBL4916949 0.94 MAPT (0.54) MAPTLMNAALDH1A1TP53HTR1A
SCHEMBL1138593 0.94 MAPT (0.54) MAPTLMNAALDH1A1TP53HTR1A
SCHEMBL4923012 0.93 MAPT (0.55) MAPTLMNAALDH1A1TP53HTR1A
SCHEMBL1138204 0.93 MAPT (0.55) MAPTLMNAALDH1A1TP53HTR1A
SCHEMBL4930022 0.90 MAPT (0.55) MAPTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL1138161 0.90 MAPT (0.55) MAPTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL4922301 0.90 MAPT (0.53) MAPTLMNAALDH1A1TP53HTR1A

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 4614/4885LMNA 2368/4885ALDH1A1 1028/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS MAPT 4577/4885LMNA 2752/4885ALDH1A1 663/4885

“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.