SCHEMBL4356980

SCHEMBL4356980

O=C(Nc1ccccc1)N(S)c1ccc2ncc(Nc3ccc(O)cc3)nc2n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.52
MAPK8 P45983 9/20 0.52
MAPK9 P45984 9/20 0.52
MAPK10 P53779 9/20 0.52
MAPK1 P28482 5/20 0.52
MAPK14 Q16539 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
EGFR P00533 1/20 0.38
AURKA O14965 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL4340788 0.84 PIK3CA (0.49) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4348201 0.84 PIK3CA (0.49) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4357561 0.82 PIK3CA (0.58) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4347609 0.80 PIK3CA (0.70) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4353629 0.80 PIK3CA (0.53) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4356972 0.76 PIK3CA (0.57) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4346295 0.75 PIK3CA (0.69) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4345515 0.75 PIK3CA (0.56) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4340397 0.74 PIK3CA (0.53) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4341186 0.74 PIK3CA (0.53) PIK3CAMAPK8MAPK9MAPK10MAPK1

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 11 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
EP-1990342-A1 Pyridopyrazine Derivatives, Process of Manufacturing and Uses thereof AEterna Zentaris GmbH (DE) 2008-11-12 EP 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
EP-1990342-A1 Pyridopyrazine Derivatives, Process of Manufacturing and Uses thereof AEterna Zentaris GmbH (DE) 2008-11-12 EP 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 PIK3CA 537/4885MAPK8 1399/4885MAPK9 1346/4885
US-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 PIK3CA 537/4885MAPK8 1399/4885MAPK9 1346/4885
US-20120277219-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 PIK3CA 537/4885MAPK8 1399/4885MAPK9 1346/4885
US-20120209050-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 PIK3CA 537/4885MAPK8 1399/4885MAPK9 1346/4885

“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.