SCHEMBL4918331

SCHEMBL4918331

COc1nc2cc(C)ccc2nc1NC(=O)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.58
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2C P28335 1/20 0.51
HTR6 P50406 1/20 0.51
POLB P06746 2/20 0.48
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 4/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL1138488 1.00 PANK3 (0.58) PANK3KMT2AL3MBTL1HTR1AHTR1D
SCHEMBL1138525 0.91 POLB (0.54) PANK3KMT2AL3MBTL1HTR1AHTR1D
SCHEMBL4927068 0.91 POLB (0.54) PANK3KMT2AL3MBTL1HTR1AHTR1D
SCHEMBL6560480 0.91 KMT2A (0.60) PANK3KMT2AL3MBTL1HTR1AHTR1D
SCHEMBL1138341 0.91 TSHR (0.55) PANK3KMT2AL3MBTL1HTR1AHTR1D
SCHEMBL4927114 0.91 TSHR (0.55) PANK3KMT2AL3MBTL1HTR1AHTR1D
SCHEMBL1138221 0.90 HTR1A (0.51) PANK3KMT2AHTR1AHTR1DHTR1B
SCHEMBL4930120 0.90 HTR1A (0.51) PANK3KMT2AHTR1AHTR1DHTR1B
SCHEMBL1138052 0.90 KMT2A (0.52) PANK3KMT2AL3MBTL1HTR1AHTR1D
SCHEMBL4925496 0.90 KMT2A (0.52) PANK3KMT2AL3MBTL1HTR1AHTR1D

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 PANK3 804/4885KMT2A 549/4885L3MBTL1 3490/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS PANK3 905/4885KMT2A 814/4885L3MBTL1 3605/4885

“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.