SCHEMBL12979504

SCHEMBL12979504

O=C(Nc1ccc2ncc(-c3cccc(Cl)n3)nc2n1)NC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
PIK3CA P42336 13/20 0.43
MAPK8 P45983 12/20 0.43
MAPK9 P45984 12/20 0.43
MAPK10 P53779 12/20 0.43
MAPK1 P28482 12/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EPHX1 P07099 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL12979639 0.96 PIK3CA (0.45) JAK2JAK1JAK3PIK3CAMAPK8
SCHEMBL12979024 0.88 ALDH1A1 (0.48) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL5441526 0.84 JAK2 (0.55) JAK2JAK1JAK3PIK3CAMAPK8
SCHEMBL12979358 0.83 MAPK1 (0.45) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL5449743 0.83 MAPK1 (0.61) JAK2JAK1JAK3PIK3CAMAPK8
SCHEMBL13192005 0.83 MAPK1 (0.46) JAK2JAK1JAK3PIK3CAMAPK8
SCHEMBL12979737 0.83 PIK3CA (0.49) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL5451753 0.81 MAPK1 (0.61) JAK2JAK1JAK3PIK3CAMAPK8
SCHEMBL12979515 0.80 PIK3CA (0.52) JAK2JAK1JAK3PIK3CAMAPK8
SCHEMBL12978902 0.80 PIK3CA (0.66) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120259151-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE AETERNA ZENTARIS GMBH (DE) 2012-10-11 US claimed
US-8912189-B2 Pyridopyrazine derivatives and their use AETERNA ZENTARIS GMBH (DE) 2014-12-16 US disclosed
US-8912189-B2 Pyridopyrazine derivatives and their use AETERNA ZENTARIS GMBH (DE) 2014-12-16 US disclosed
US-8912189-B2 Pyridopyrazine derivatives and their use AETERNA ZENTARIS GMBH (DE) 2014-12-16 US disclosed
EP-2694068-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE Æterna Zentaris GmbH (DE) 2014-02-12 EP disclosed
WO-2012136694-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE ÆTERNA ZENTARIS GMBH (DE) 2012-10-11 WO disclosed
US-20120259151-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE AETERNA ZENTARIS GMBH (DE) 2012-10-11 US disclosed
WO-2012136694-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE ÆTERNA ZENTARIS GMBH (DE) 2012-10-11 WO disclosed
US-20120259151-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE AETERNA ZENTARIS GMBH (DE) 2012-10-11 US disclosed
US-20120259151-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE AETERNA ZENTARIS GMBH (DE) 2012-10-11 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-20120259151-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE PLPBP, PDXK, MAP4K2 JAK2 620/4885JAK1 1191/4885JAK3 1092/4885

“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.