SCHEMBL2390008

SCHEMBL2390008

CC(C)N1C[C@@H]2C[C@H]1CN2c1cccc(Nc2ncc(-c3ccc4c(c3)CNC4=O)n3ncnc23)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.57
SYK P43405 1/20 0.38
MKNK1 Q9BUB5 6/20 0.36
F9 P00740 1/20 0.35
PIK3CD O00329 1/20 0.33
MKNK2 Q9HBH9 4/20 0.33
LRRK2 Q5S007 1/20 0.33
EIF4E P06730 1/20 0.32
TP53BP1 Q12888 1/20 0.32
GSK3B P49841 1/20 0.32
TARS1 P26639 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL1570378 0.92 MAPKAPK5 (0.66) MAPKAPK5SYKMKNK1F9PIK3CD
SCHEMBL13616662 0.89 MAPKAPK5 (0.59) MAPKAPK5MKNK1F9PIK3CDMKNK2
SCHEMBL2388750 0.88 MAPKAPK5 (0.58) MAPKAPK5SYKMKNK1F9PIK3CD
SCHEMBL2390006 0.86 MAPKAPK5 (0.41) MAPKAPK5SYK
SCHEMBL12306164 0.84 MAPKAPK5 (0.61) MAPKAPK5MKNK1F9PIK3CDMKNK2
SCHEMBL2392164 0.81 MAPKAPK5 (0.65) MAPKAPK5SYKMKNK1F9PIK3CD
SCHEMBL12443700 0.79 MAPKAPK5 (0.65) MAPKAPK5MKNK1F9PIK3CD
SCHEMBL1570224 0.79 MAPKAPK5 (0.42) MAPKAPK5SYKPIK3CD
SCHEMBL2394082 0.78 MAPKAPK5 (0.47) MAPKAPK5SYK
SCHEMBL2389685 0.78 MAPKAPK5 (0.64) MAPKAPK5SYK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US claimed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US claimed
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
WO-2009135885-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-12 WO 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-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL1B, IL1A, PTGER1 MAPKAPK5 131/4885SYK 3339/4885MKNK1 532/4885

“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.