SCHEMBL5452959

SCHEMBL5452959

CNC(=S)Nc1ccc2ncc(-c3ccc(N)cc3)nc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 17/20 1.00
PIK3CA P42336 16/20 1.00
MAPK8 P45983 14/20 1.00
MAPK9 P45984 14/20 1.00
MAPK10 P53779 14/20 1.00
MAPK14 Q16539 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
JAK2 O60674 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 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
SCHEMBL4676189 0.90 MAPK1 (0.82) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL4680651 0.89 MAPK1 (0.80) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL13191846 0.87 MAPK1 (0.77) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL16693513 0.86 MAPK1 (0.75) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL4680540 0.84 MAPK1 (0.72) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12979744 0.83 MAPK1 (0.82) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5452696 0.79 PIK3CA (1.00) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5441469 0.77 MAPK1 (1.00) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL4350538 0.77 PIK3CA (0.83) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL13191853 0.76 MAPK1 (0.61) MAPK1PIK3CAMAPK8MAPK9MAPK10

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 10 patents. 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
CN-101330918-A Pyridopyrazine derivatives and use thereof as modulators of the signal transduction paths ZENTARIS GMBH (DE) 2008-12-24 CN claimed
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-8937068-B2 Pyridopyrazine derivatives and their use ZENTARIS GMBH (DE) 2015-01-20 US disclosed
CN-101330918-A Pyridopyrazine derivatives and use thereof as modulators of the signal transduction paths ZENTARIS GMBH (DE) 2008-12-24 CN 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-20070123494-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE ZENTARIS GMBH (DE) 2007-05-31 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 (1 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-20070123494-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE PLPBP, PDXK, MAP4K2 MAPK1 58/4885PIK3CA 866/4885MAPK8 116/4885

“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.