SCHEMBL4696809

SCHEMBL4696809

COCCOCC(=O)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.65
HPGD P15428 2/20 0.64
MAPT P10636 2/20 0.64
ALOX12 P18054 1/20 0.64
MAPK1 P28482 1/20 0.64
HTT P42858 1/20 0.64
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.55
NOTUM Q6P988 1/20 0.53
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
KLK7 P49862 2/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AKT1 P31749 1/20 0.49

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
SCHEMBL13841453 0.85 NAMPT (0.60) NAMPTHPGDMAPTHTTALDH1A1
SCHEMBL25701 0.85 ALDH1A1 (0.63) HPGDMAPTALOX12MAPK1HTT
SCHEMBL588524 0.84 HPGD (0.86) HPGDMAPTALOX12MAPK1HTT
SCHEMBL13361134 0.84 NAMPT (0.59) NAMPTHPGDMAPTALOX12MAPK1
SCHEMBL9125307 0.84 ALDH1A1 (0.65) HPGDMAPTALOX12MAPK1HTT
SCHEMBL13841456 0.83 MAPK1 (0.60) NAMPTHPGDMAPK1HTTALDH1A1
SCHEMBL3364875 0.83 KDM4E (0.56) HPGDMAPTALOX12MAPK1HTT
SCHEMBL16712168 0.83 NAMPT (0.54) NAMPTHPGDAKT1
SCHEMBL3220642 0.82 ALDH1A1 (0.53) NAMPTHPGDMAPTALOX12MAPK1
SCHEMBL17183962 0.82 ALDH1A1 (0.60) HPGDMAPTALOX12MAPK1HTT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101356173-A Novel pyridopyrazines and their use as modulators of kinases AETERNA ZENTARIS GMBH (DE) 2009-01-28 CN claimed
EP-1957487-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES AEterna Zentaris GmbH (DE) 2008-08-20 EP claimed
US-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2007-06-28 US claimed
WO-2007054556-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ÆTERNA ZENTARIS GMBH (DE) 2007-05-18 WO claimed
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP claimed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO claimed
US-20130157976-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES CLAUS ECKHARD (DE) 2013-06-20 US disclosed
CN-101356173-B Novel pyridopyrazines and their use as modulators of kinases AETERNA ZENTARIS GMBH 2012-10-31 CN disclosed
US-20120252760-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2012-10-04 US disclosed
US-8217042-B2 Pyridopyrazines and their use as modulators of kinases ZENTARIS GMBH (DE) 2012-07-10 US disclosed
CN-101356173-A Novel pyridopyrazines and their use as modulators of kinases AETERNA ZENTARIS GMBH (DE) 2009-01-28 CN disclosed
EP-1957487-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES AEterna Zentaris GmbH (DE) 2008-08-20 EP disclosed
US-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2007-06-28 US disclosed
WO-2007054556-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ÆTERNA ZENTARIS GMBH (DE) 2007-05-18 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 (3 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-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 NAMPT 980/4885HPGD 1304/4885MAPT 2551/4885
US-20120252760-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 NAMPT 980/4885HPGD 1304/4885MAPT 2551/4885
US-20130157976-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 NAMPT 980/4885HPGD 1304/4885MAPT 2551/4885

“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.