SCHEMBL4925320

SCHEMBL4925320

COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(C)c(C)cc4nc3OC)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.46
MAPT P10636 7/20 0.44
MAPK1 P28482 3/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 4/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.43
NAMPT P43490 1/20 0.42
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN7 P35236 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41

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
SCHEMBL4931896 0.91 PDGFRB (0.49) PHGDHMAPTMAPK1KMT2AL3MBTL1
SCHEMBL4928451 0.91 PHGDH (0.46) PHGDHMAPTMAPK1KMT2AL3MBTL1
SCHEMBL1138453 0.91 PHGDH (0.46) PHGDHMAPTMAPK1KMT2AL3MBTL1
SCHEMBL4926183 0.91 KMT2A (0.56) PHGDHMAPTMAPK1KMT2AGAA
SCHEMBL4925380 0.90 MAPT (0.46) PHGDHMAPTMAPK1KMT2AL3MBTL1
SCHEMBL4928471 0.90 MAPT (0.46) PHGDHMAPTMAPK1KMT2AL3MBTL1
SCHEMBL4918341 0.90 MAPT (0.43) PHGDHMAPTMAPK1KMT2AL3MBTL1
SCHEMBL4920688 0.90 KMT2A (0.50) PHGDHMAPTMAPK1KMT2AL3MBTL1
SCHEMBL6559685 0.90 MAPT (0.50) PHGDHMAPTMAPK1KMT2AL3MBTL1
SCHEMBL4928452 0.90 PHGDH (0.41) PHGDHMAPTMAPK1KMT2AL3MBTL1

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 PHGDH 2235/4885MAPT 4614/4885MAPK1 2370/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS PHGDH 2478/4885MAPT 4577/4885MAPK1 2353/4885

“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.