SCHEMBL4928778

SCHEMBL4928778

COc1nc2cc(C)ccc2nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.50
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 8/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
MEN1 O00255 3/20 0.40
RAD52 P43351 1/20 0.40
PABPC1 P11940 1/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 3/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL11467762 0.87 NQO2 (0.59) NQO2ALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL6304236 0.84 HRH4 (0.56) NQO2ALDH1A1KMT2AKDM4EMAPT
SCHEMBL3602260 0.84 HRH4 (0.56) NQO2ALDH1A1KMT2AKDM4EMAPT
SCHEMBL404199 0.82 NQO2 (0.64) NQO2ALDH1A1KMT2ANPSR1KDM4E
SCHEMBL4928239 0.82 ALDH1A1 (0.59) NQO2ALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL444482 0.81 KDM4E (0.44) NQO2ALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL2178510 0.79 TDP1 (0.58) NQO2ALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL1138314 0.79 NQO2 (0.50) NQO2ALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL4920558 0.79 NQO2 (0.50) NQO2ALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL14764426 0.77 NQO2 (0.57) NQO2ALDH1A1KMT2ANPSR1KDM4E

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 NQO2 56/4885ALDH1A1 1028/4885KMT2A 549/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS NQO2 51/4885ALDH1A1 663/4885KMT2A 814/4885

“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.