SCHEMBL4681263

SCHEMBL4681263

COc1ccc(-c2cnc3ccc(NC(=S)Nc4ccc([N+](=O)[O-])cc4)nc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.52
MAPK1 P28482 7/20 0.52
MAPK8 P45983 6/20 0.52
MAPK9 P45984 6/20 0.52
MAPK10 P53779 6/20 0.52
SGK1 O00141 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 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
SCHEMBL16404493 0.86 PIK3CA (0.57) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL4679611 0.85 PIK3CA (0.47) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL4680540 0.84 MAPK1 (0.72) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5443639 0.81 MAPK1 (0.47) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL4739918 0.79 SGK1 (0.51) PIK3CASGK1KMT2AMEN1PIK3CB
SCHEMBL4679697 0.79 MAPK1 (0.75) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL4680167 0.77 MAPK1 (0.78) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5757398 0.75 PIK3CA (0.52) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL4679525 0.75 MAPK1 (0.60) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL4736450 0.75 MAPK1 (0.52) PIK3CAMAPK1MAPK8MAPK9MAPK10

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962854-B1 PYRIDOPYRAZINE DERIVATIVES AND USE THEREOF AS MODULATORS OF THE SIGNAL TRANSDUCTION PATHS TERNA ZENTARIS GMBH (DE) 2015-05-06 EP claimed
US-8193186-B2 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2012-06-05 US claimed
EP-1636228-B1 NOVEL PYRIDOPYRAZINES AND USE THEREOF AS KINASE MODULATORS AETERNA ZENTARIS GMBH (DE) 2008-10-22 EP claimed
US-20080113991-A1 Pyridopyrazines and the use thereof as kinase inhibitors ZENTARIS GMBH (DE) 2008-05-15 US claimed
US-7323468-B2 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2008-01-29 US claimed
US-20070275972-A1 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2007-11-29 US claimed
US-7276507-B2 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2007-10-02 US claimed
US-20050032803-A1 Pyridopyrazines and the use thereof as kinase inhibitors ZENTARIS GMBH (DE) 2005-02-10 US claimed
US-20040266777-A1 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2004-12-30 US claimed
WO-2017180817-A1 TREATMENT OF SEPTICEMIA AND ARDS WITH ERK INHIBITORS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-10-19 WO disclosed
EP-1962854-B1 PYRIDOPYRAZINE DERIVATIVES AND USE THEREOF AS MODULATORS OF THE SIGNAL TRANSDUCTION PATHS TERNA ZENTARIS GMBH (DE) 2015-05-06 EP disclosed
US-8937068-B2 Pyridopyrazine derivatives and their use ZENTARIS GMBH (DE) 2015-01-20 US disclosed
US-8937068-B2 Pyridopyrazine derivatives and their use ZENTARIS GMBH (DE) 2015-01-20 US disclosed
US-8193186-B2 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2012-06-05 US disclosed
US-20070275972-A1 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2007-11-29 US disclosed
US-7276507-B2 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2007-10-02 US disclosed
US-20070123494-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE ZENTARIS GMBH (DE) 2007-05-31 US disclosed
US-20070123494-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE ZENTARIS GMBH (DE) 2007-05-31 US disclosed
US-20050032803-A1 Pyridopyrazines and the use thereof as kinase inhibitors ZENTARIS GMBH (DE) 2005-02-10 US disclosed
US-20040266777-A1 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2004-12-30 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 (5 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-20070275972-A1 Pyridopyrazines and the use thereof as kinase inhibitors MKI67, MAP4K2, MAP3K5 PIK3CA 207/4885MAPK1 29/4885MAPK8 134/4885
US-20040266777-A1 Pyridopyrazines and the use thereof as kinase inhibitors PDXK, MKI67, MAP4K2 PIK3CA 209/4885MAPK1 17/4885MAPK8 194/4885
US-20070123494-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE PLPBP, PDXK, MAP4K2 PIK3CA 866/4885MAPK1 58/4885MAPK8 116/4885
US-20050032803-A1 Pyridopyrazines and the use thereof as kinase inhibitors MKI67, MAP4K2, MAP3K5 PIK3CA 207/4885MAPK1 29/4885MAPK8 134/4885
US-20080113991-A1 Pyridopyrazines and the use thereof as kinase inhibitors MKI67, MAP4K2, MAP3K5 PIK3CA 207/4885MAPK1 29/4885MAPK8 134/4885

“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.