SCHEMBL4345000

SCHEMBL4345000

COc1cc(Nc2cnc3ccc(NC(=S)NCc4ccccc4)nc3n2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
PIK3CA P42336 8/20 0.52
MAPK1 P28482 5/20 0.52
MAPK8 P45983 5/20 0.48
MAPK9 P45984 5/20 0.48
MAPK10 P53779 5/20 0.48
BRAF P15056 1/20 0.47
QPCT Q16769 1/20 0.46
MAPK14 Q16539 1/20 0.44
KIT P10721 1/20 0.43
PDGFRA P16234 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4357441 0.92 PIK3CA (0.51) ALDH1A1GAAKMT2APIK3CAMAPK1
SCHEMBL4345916 0.91 PIK3CA (0.50) ALDH1A1GAAKMT2APIK3CAMAPK1
SCHEMBL4340149 0.91 PIK3CA (0.50) ALDH1A1GAAKMT2APIK3CAMAPK1
SCHEMBL4341472 0.91 MAPK1 (0.50) ALDH1A1GAAKMT2APIK3CAMAPK1
SCHEMBL4347438 0.91 PIK3CA (0.50) ALDH1A1GAAKMT2APIK3CAMAPK1
SCHEMBL4353726 0.90 BRAF (0.48) ALDH1A1GAAKMT2APIK3CAMAPK1
SCHEMBL4351962 0.90 ALDH1A1 (0.48) ALDH1A1GAAKMT2APIK3CAMAPK1
SCHEMBL4353592 0.90 PIK3CA (0.51) ALDH1A1GAAKMT2APIK3CAMAPK1
SCHEMBL4349620 0.90 PIK3CA (0.58) ALDH1A1GAAKMT2APIK3CAMAPK1
SCHEMBL4346389 0.89 MAPK1 (0.52) ALDH1A1GAAKMT2APIK3CAMAPK1

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-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-8536332-B2 Modulating signal transduction pathways with substituted pyridol [2,3-b] pyrazines AETERNA ZENTARIS GMBH (DE) 2013-09-17 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-8507486-B2 Pyridopyrazine derivatives, process of manufacturing and uses thereof AETERNA ZENTARIS GMBH (DE) 2013-08-13 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-20120277219-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2012-11-01 US disclosed
US-20120209050-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2012-08-16 US disclosed
US-20120209050-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2012-08-16 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-8202883-B2 Substituted pyrido[2,3-b]pyrazine compounds as modulators of tyrosine kinases AETERNA ZENTARIS GMBH (DE) 2012-06-19 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
US-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF ZENTARIS GMBH (DE) 2009-11-05 US disclosed
US-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF ZENTARIS GMBH (DE) 2009-11-05 US disclosed
WO-2008138878-A2 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF ÆTERNA ZENTARIS GMBH (DE) 2008-11-20 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-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 ALDH1A1 932/4885GAA 3256/4885KMT2A 2378/4885
US-20120277219-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 ALDH1A1 932/4885GAA 3256/4885KMT2A 2378/4885
US-20120209050-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 ALDH1A1 932/4885GAA 3256/4885KMT2A 2378/4885

“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.