SCHEMBL4922280

SCHEMBL4922280

COc1nc2cc(C)ccc2nc1NC(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
KDM4E B2RXH2 4/20 0.50
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
GLA P06280 1/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PANK3 Q9H999 1/20 0.45
S1PR2 O95136 1/20 0.45
PKM P14618 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 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
SCHEMBL1138051 1.00 MAPT (0.50) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL1138248 0.93 MAPT (0.53) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL4925200 0.93 MAPT (0.53) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL1138455 0.91 MAPT (0.51) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL4917704 0.91 MAPT (0.51) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL4922301 0.90 MAPT (0.53) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL1138539 0.90 MAPT (0.53) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL4926124 0.90 MAPT (0.52) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL4929597 0.90 MAPT (0.52) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL1138217 0.90 RBP4 (0.48) MAPTKDM4EHTR1AHTR1DHTR1B

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 4614/4885KDM4E 502/4885HTR1A 2065/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS MAPT 4577/4885KDM4E 843/4885HTR1A 1840/4885

“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.