SCHEMBL4928255

SCHEMBL4928255

COc1nc2cc(C)ccc2nc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
HTT P42858 2/20 0.49
PANK3 Q9H999 1/20 0.49
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
RBP4 P02753 1/20 0.48
NPC1 O15118 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
GPR35 Q9HC97 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CCKAR P32238 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL1138199 1.00 MAPT (0.49) MAPTHTTPANK3GAAKMT2A
SCHEMBL1138746 0.94 LMNA (0.52) MAPTHTTPANK3GAAKMT2A
SCHEMBL4928342 0.94 LMNA (0.52) MAPTHTTPANK3GAAKMT2A
SCHEMBL1138108 0.93 RBP4 (0.53) MAPTHTTPANK3GAAKMT2A
SCHEMBL4922341 0.93 RBP4 (0.53) MAPTHTTPANK3GAAKMT2A
SCHEMBL4921965 0.93 CA12 (0.53) MAPTHTTGAAKMT2AALOX15
SCHEMBL1138240 0.93 CA12 (0.53) MAPTHTTGAAKMT2AALOX15
SCHEMBL1138378 0.91 KMT2A (0.53) MAPTGAAKMT2ATSHRSMN1; SMN2
SCHEMBL4921587 0.91 KMT2A (0.53) MAPTGAAKMT2ATSHRSMN1; SMN2
SCHEMBL4926167 0.91 MAPT (0.52) MAPTHTTPANK3GAAKMT2A

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 6 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
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 MAPT 4614/4885HTT 1736/4885PANK3 804/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS MAPT 4577/4885HTT 1530/4885PANK3 905/4885

“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.