SCHEMBL1138087

SCHEMBL1138087

COc1nc2ccc(Cl)cc2nc1NC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 8/20 0.52
HTT P42858 1/20 0.52
RXFP1 Q9HBX9 2/20 0.48
RBP4 P02753 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 2/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.48
PANK3 Q9H999 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 2/20 0.47
HRH4 Q9H3N8 1/20 0.45
MLLT1 Q03111 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 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
SCHEMBL4917906 1.00 SMN1; SMN2 (0.57) SMN1; SMN2LMNAKDM4EMAPTHTT
SCHEMBL1138204 0.93 MAPT (0.55) SMN1; SMN2LMNAKDM4EMAPTRBP4
SCHEMBL4923012 0.93 MAPT (0.55) SMN1; SMN2LMNAKDM4EMAPTRBP4
SCHEMBL4922578 0.90 MAPT (0.61) SMN1; SMN2LMNAMAPTHTTRBP4
SCHEMBL1138013 0.90 MAPT (0.61) SMN1; SMN2LMNAMAPTHTTRBP4
SCHEMBL1138412 0.90 MAPT (0.48) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL4929561 0.90 MAPT (0.48) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL4921561 0.90 MAPT (0.49) LMNAKDM4EMAPTRBP4ALDH1A1
SCHEMBL1138227 0.90 MAPT (0.49) LMNAKDM4EMAPTRBP4ALDH1A1
SCHEMBL1138244 0.90 MAPT (0.56) SMN1; SMN2LMNAKDM4EMAPTHTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SMN1; SMN2 3421/4885LMNA 2368/4885KDM4E 502/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS SMN1; SMN2 3443/4885LMNA 2752/4885KDM4E 843/4885

“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.