SCHEMBL4358596

SCHEMBL4358596

COc1cc(Nc2cnc3ccc(N)nc3n2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.51
MAPK1 P28482 3/20 0.48
PIK3CA P42336 3/20 0.48
IGF1R P08069 2/20 0.47
EGFR P00533 1/20 0.47
INSR P06213 1/20 0.47
MET P08581 1/20 0.47
CDK2 P24941 1/20 0.47
KDR P35968 1/20 0.47
TEK Q02763 1/20 0.47
DHFR P00374 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 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
SCHEMBL9972584 0.83 PIK3CA (0.57) BRAFMAPK1PIK3CAIGF1REGFR
SCHEMBL4350549 0.82 PIK3CA (0.57) BRAFMAPK1PIK3CAIGF1REGFR
SCHEMBL23326214 0.81 BRAF (0.47) BRAFMAPK1PIK3CAIGF1REGFR
SCHEMBL12553908 0.80 DHFR (0.54) BRAFIGF1REGFRINSRMET
SCHEMBL4341192 0.79 PIK3CA (0.53) BRAFMAPK1PIK3CAIGF1REGFR
SCHEMBL4352387 0.78 PIK3CA (0.63) BRAFMAPK1PIK3CAMAPK8MAPK9
SCHEMBL4350560 0.78 PIK3CA (0.50) BRAFMAPK1PIK3CAMAPK8MAPK9
SCHEMBL4640142 0.78 BRAF (0.64) BRAFIGF1REGFRINSRMET
SCHEMBL4350968 0.77 BRAF (0.54) BRAFMAPK1PIK3CAIGF1REGFR
SCHEMBL4354830 0.77 PIK3CA (0.51) BRAFMAPK1PIK3CAIGF1REGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF ZENTARIS GMBH (DE) 2009-11-05 US claimed
US-8604196-B2 Modulating signal transduction pathways with 1-ethyl-3-[3-(1-methyl-1H-pyrazol-4-yl)-pyrido[2.3-B]pyrazine-6-yl]thiourea AETERNA ZENTARIS GMBH (DE) 2013-12-10 US disclosed
US-8536332-B2 Modulating signal transduction pathways with substituted pyridol [2,3-b] pyrazines AETERNA ZENTARIS GMBH (DE) 2013-09-17 US disclosed
US-8507486-B2 Pyridopyrazine derivatives, process of manufacturing and uses thereof AETERNA ZENTARIS GMBH (DE) 2013-08-13 US disclosed
US-20120277219-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2012-11-01 US disclosed
US-20120214768-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2012-08-23 US disclosed
US-20120209050-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2012-08-16 US disclosed
US-8202883-B2 Substituted pyrido[2,3-b]pyrazine compounds as modulators of tyrosine kinases AETERNA ZENTARIS GMBH (DE) 2012-06-19 US disclosed
US-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF ZENTARIS GMBH (DE) 2009-11-05 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 (4 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-20120214768-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 BRAF 52/4885MAPK1 460/4885PIK3CA 537/4885
US-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 BRAF 52/4885MAPK1 460/4885PIK3CA 537/4885
US-20120277219-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 BRAF 52/4885MAPK1 460/4885PIK3CA 537/4885
US-20120209050-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 BRAF 52/4885MAPK1 460/4885PIK3CA 537/4885

“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.