SCHEMBL4929616

SCHEMBL4929616

COc1nc2cc(C)c(C)cc2nc1NC(=O)N1CCN(c2cccc(Br)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 5/20 0.43
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
LMNA P02545 3/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 2/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
LIMK2 P53671 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
SCHEMBL4920573 0.92 MAPT (0.48) GAAKMT2AMAPTCA12CA1
SCHEMBL6560277 0.92 KMT2A (0.48) GAAKMT2AMAPTMAPK1ALDH1A1
SCHEMBL4918673 0.91 GAA (0.51) GAAKMT2AMAPTMAPK1ALDH1A1
SCHEMBL4929649 0.91 LMNA (0.44) GAAKMT2AMAPTMAPK1ALDH1A1
SCHEMBL4926183 0.90 KMT2A (0.56) GAAKMT2AMAPTMAPK1ALDH1A1
SCHEMBL4929636 0.90 CA12 (0.54) GAAKMT2AMAPTMAPK1ALDH1A1
SCHEMBL4926167 0.89 MAPT (0.52) GAAKMT2AMAPTALDH1A1CA12
SCHEMBL6562248 0.89 KMT2A (0.47) GAAKMT2AMAPTMAPK1ALDH1A1
SCHEMBL4925320 0.85 PHGDH (0.46) GAAKMT2AMAPTMAPK1ALDH1A1
SCHEMBL4928452 0.83 PHGDH (0.41) GAAKMT2AMAPTMAPK1ALDH1A1

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 GAA 3084/4885KMT2A 549/4885MAPT 4614/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS GAA 2884/4885KMT2A 814/4885MAPT 4577/4885

“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.