SCHEMBL4345754

SCHEMBL4345754

CCNC(=O)N(S)c1ccc2ncc(Nc3ccc(C(=O)OCC)cc3)nc2n1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
MEN1 O00255 2/20 0.58
RAB9A P51151 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CASP3 P42574 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
PIK3CA P42336 15/20 0.52
MAPK1 P28482 6/20 0.52
MAPK14 Q16539 1/20 0.52
MAPK8 P45983 9/20 0.50
MAPK9 P45984 9/20 0.50
MAPK10 P53779 9/20 0.50
SLC2A1 P11166 1/20 0.47
PDPK1 O15530 1/20 0.44
GBA1 P04062 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL4341186 0.88 PIK3CA (0.53) PIK3CAMAPK1MAPK14MAPK8MAPK9
SCHEMBL4340397 0.84 PIK3CA (0.53) PIK3CAMAPK1MAPK14MAPK8MAPK9
SCHEMBL4353629 0.83 PIK3CA (0.53) PIK3CAMAPK1MAPK14MAPK8MAPK9
SCHEMBL4345515 0.83 PIK3CA (0.56) PIK3CAMAPK1MAPK14MAPK8MAPK9
SCHEMBL4341262 0.82 PIK3CA (0.77) PIK3CAMAPK1MAPK14MAPK8MAPK9
SCHEMBL4668755 0.82 PIK3CA (0.51) PIK3CAMAPK1MAPK14MAPK8MAPK9
SCHEMBL4357038 0.81 PIK3CA (0.54) PIK3CAMAPK1MAPK14MAPK8MAPK9
SCHEMBL4345743 0.81 PIK3CA (0.62) NPC1MEN1RAB9AKMT2AALDH1A1
SCHEMBL4340414 0.81 PIK3CA (0.69) PIK3CAMAPK1MAPK14MAPK8MAPK9
SCHEMBL4342723 0.81 PIK3CA (0.53) PIK3CAMAPK1MAPK14MAPK8MAPK9

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 NPC1 4629/4885MEN1 1842/4885RAB9A 3465/4885
US-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 NPC1 4629/4885MEN1 1842/4885RAB9A 3465/4885
US-20120277219-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 NPC1 4629/4885MEN1 1842/4885RAB9A 3465/4885
US-20120209050-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 NPC1 4629/4885MEN1 1842/4885RAB9A 3465/4885

“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.