SCHEMBL1138052

SCHEMBL1138052

COc1nc2ccc(Cl)cc2nc1NC(=O)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RBP4 P02753 3/20 0.51
MAPT P10636 2/20 0.51
HTR1A P08908 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR2C P28335 1/20 0.50
HTR6 P50406 1/20 0.50
KDM4E B2RXH2 4/20 0.49
MAPK1 P28482 2/20 0.49
GAA P10253 1/20 0.48
MEN1 O00255 2/20 0.48
PANK3 Q9H999 1/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL4925496 1.00 KMT2A (0.52) KMT2AL3MBTL1RBP4MAPTHTR1A
SCHEMBL1138306 0.92 RBP4 (0.61) KMT2ARBP4MAPTHTR1AHTR1D
SCHEMBL4928805 0.92 RBP4 (0.61) KMT2ARBP4MAPTHTR1AHTR1D
SCHEMBL4927068 0.91 POLB (0.54) KMT2AL3MBTL1MAPTHTR1AHTR1D
SCHEMBL1138525 0.91 POLB (0.54) KMT2AL3MBTL1MAPTHTR1AHTR1D
SCHEMBL6560480 0.90 KMT2A (0.60) KMT2AL3MBTL1MAPTHTR1AHTR1D
SCHEMBL1138026 0.90 GAA (0.62) L3MBTL1RBP4MAPTHTR1AHTR1D
SCHEMBL4930511 0.90 GAA (0.62) L3MBTL1RBP4MAPTHTR1AHTR1D
SCHEMBL1138205 0.90 RBP4 (0.52) KMT2ARBP4MAPTHTR1AHTR1D
SCHEMBL4926608 0.90 RBP4 (0.52) KMT2ARBP4MAPTHTR1AHTR1D

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 7 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
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
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 KMT2A 549/4885L3MBTL1 3490/4885RBP4 3132/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS KMT2A 814/4885L3MBTL1 3605/4885RBP4 2519/4885

“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.