SCHEMBL4922301

SCHEMBL4922301

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
TP53 P04637 4/20 0.49
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR6 P50406 1/20 0.48
RBP4 P02753 1/20 0.47
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
POLB P06746 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 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
SCHEMBL1138539 1.00 MAPT (0.53) MAPTTP53HTR1AHTR1DHTR1B
SCHEMBL4923012 0.93 MAPT (0.55) MAPTTP53HTR1AHTR1DHTR1B
SCHEMBL1138204 0.93 MAPT (0.55) MAPTTP53HTR1AHTR1DHTR1B
SCHEMBL4917704 0.91 MAPT (0.51) MAPTTP53HTR1AHTR1DHTR1B
SCHEMBL1138455 0.91 MAPT (0.51) MAPTTP53HTR1AHTR1DHTR1B
SCHEMBL1138199 0.90 MAPT (0.49) MAPTRBP4LMNASMN1; SMN2KDM4E
SCHEMBL4928255 0.90 MAPT (0.49) MAPTRBP4LMNASMN1; SMN2KDM4E
SCHEMBL1138407 0.90 MAPT (0.61) MAPTTP53HTR1AHTR1DHTR1B
SCHEMBL4922280 0.90 MAPT (0.50) MAPTHTR1AHTR1DHTR1BHTR2A
SCHEMBL1138051 0.90 MAPT (0.50) MAPTHTR1AHTR1DHTR1BHTR2A

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 4614/4885TP53 8/4885HTR1A 2065/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS MAPT 4577/4885TP53 5/4885HTR1A 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.