SCHEMBL4917890

SCHEMBL4917890

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.55
PDGFRB P09619 2/20 0.55
TSHR P16473 2/20 0.53
NPC1 O15118 2/20 0.53
ALOX15 P16050 1/20 0.53
MAPT P10636 4/20 0.52
HTT P42858 2/20 0.52
PANK3 Q9H999 1/20 0.52
GAA P10253 2/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 2/20 0.50
ABL1 P00519 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
RIN1 Q13671 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL4928467 0.93 GAA (0.53) RBP4TSHRNPC1ALOX15MAPT
SCHEMBL4922341 0.92 RBP4 (0.53) RBP4TSHRNPC1ALOX15MAPT
SCHEMBL1138108 0.92 RBP4 (0.53) RBP4TSHRNPC1ALOX15MAPT
SCHEMBL4926167 0.92 MAPT (0.52) RBP4TSHRNPC1ALOX15MAPT
SCHEMBL4931925 0.91 MAPT (0.51) RBP4PDGFRBTSHRNPC1ALOX15
SCHEMBL4928758 0.91 GAA (0.56) PDGFRBTSHRALOX15MAPTHTT
SCHEMBL4928336 0.90 CA12 (0.53) RBP4PDGFRBTSHRALOX15MAPT
SCHEMBL4928255 0.89 MAPT (0.49) RBP4TSHRNPC1ALOX15MAPT
SCHEMBL4930022 0.89 MAPT (0.55) RBP4TSHRMAPTHTTPANK3
SCHEMBL1138161 0.89 MAPT (0.55) RBP4TSHRMAPTHTTPANK3

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 RBP4 3132/4885PDGFRB 826/4885TSHR 4491/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS RBP4 2519/4885PDGFRB 1056/4885TSHR 4292/4885

“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.