SCHEMBL1138232

SCHEMBL1138232

Nc1nc2cc(F)ccc2nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 1/20 0.47
BACE1 P56817 1/20 0.44
AXL P30530 1/20 0.42
GFER P55789 1/20 0.42
NQO1 P15559 1/20 0.39
ACHE P22303 6/20 0.38
BCHE P06276 5/20 0.38
GRIN1 Q05586 5/20 0.38
GRIN2A Q12879 5/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL119791 1.00 KDM4E (0.48) KDM4EKMT2ABACE1AXLGFER
SCHEMBL18585748 0.98 KDM4E (0.47) KDM4EKMT2ABACE1AXLGFER
SCHEMBL118875 0.86 KDM4E (0.57) KDM4EKMT2ABACE1AXLGFER
SCHEMBL31399981 0.86 KDM4E (0.57) KDM4EKMT2ABACE1AXLGFER
SCHEMBL11725621 0.86 KDM4E (0.57) KDM4EKMT2ABACE1AXLGFER
SCHEMBL1138685 0.80 PIK3CG (0.55) KDM4EKMT2ABACE1NQO1MAPT
SCHEMBL121409 0.79 NQO1 (0.46) KDM4ENQO1MAPTALDH1A1GAA
SCHEMBL13731131 0.77 KMT2A (0.52) KDM4EKMT2ABACE1AXLGFER
SCHEMBL2178248 0.77 KDM4E (0.48) KDM4EKMT2AMAPTNPC1TP53
SCHEMBL428426 0.77 KDM4E (0.48) KDM4EKMT2AMAPTNPC1TP53

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231553-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2020-07-23 US claimed
US-20180290985-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2018-10-11 US claimed
EP-3344250-A2 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE Rexahn Pharmaceuticals, Inc. (US) 2018-07-11 EP claimed
US-20170066726-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2017-03-09 US claimed
WO-2017040980-A2 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2017-03-09 WO claimed
US-20200231553-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2020-07-23 US disclosed
US-20200231553-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2020-07-23 US disclosed
US-10570101-B2 Quinoxalinyl-piperazinamide methods of use REXAHN PHARMACEUTICALS, INC. (US) 2020-02-25 US disclosed
US-10570101-B2 Quinoxalinyl-piperazinamide methods of use REXAHN PHARMACEUTICALS, INC. (US) 2020-02-25 US disclosed
US-20180290985-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2018-10-11 US disclosed
EP-3344250-A2 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE Rexahn Pharmaceuticals, Inc. (US) 2018-07-11 EP disclosed
US-9969698-B2 Quinoxalinyl-piperazinamide methods of use REXAHN PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-20170066726-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
US-20170066726-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
US-20170066726-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
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
EP-1819698-B1 1-[(6-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES REXAHN PHARMACEUTICALS INC (US) 2011-02-23 EP disclosed
US-20080318963-A1 1-[6,7-Substituted Alkoxyquinoxalinyl) Aminocarbonyl]-4-(Hetero) Arylpiperazine Derivatives REXAHN PHARMACEUTICALS, INC. (US) 2008-12-25 US 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 (6 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 KDM4E 502/4885KMT2A 549/4885BACE1 4848/4885
US-10570101-B2 Quinoxalinyl-piperazinamide methods of use NQO2, CYP3A5, NQO1 KDM4E 3492/4885KMT2A 2050/4885BACE1 2566/4885
US-20180290985-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE NQO2, CYP3A5, NQO1 KDM4E 3492/4885KMT2A 2050/4885BACE1 2566/4885
US-20200231553-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE NQO2, CYP3A5, NQO1 KDM4E 3492/4885KMT2A 2050/4885BACE1 2566/4885
US-20170066726-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE NQO2, CYP3A5, NQO1 KDM4E 3492/4885KMT2A 2050/4885BACE1 2566/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS KDM4E 843/4885KMT2A 814/4885BACE1 4805/4885

“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.