SCHEMBL2390949

SCHEMBL2390949

CC(C)N1C[C@@H]2C[C@H]1CN2c1ccc(Nc2ncc(C#N)n3ncnc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
MAPKAPK5 Q8IW41 3/20 0.35
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
PIK3CD O00329 4/20 0.33
MAP3K12 Q12852 1/20 0.32
CSNK2A2 P19784 3/20 0.31
CSNK2A1 P68400 3/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PIK3R1 P27986 1/20 0.30

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
SCHEMBL18486779 0.88 TLR9 (0.35) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL1888880 0.87 SYK (0.46) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL1887992 0.87 SYK (0.46) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL13616117 0.77 SYK (0.43) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL2389685 0.77 MAPKAPK5 (0.64) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL1570305 0.76 SYK (0.43) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL2390977 0.75 SYK (0.40) SYKMAPKAPK5TLR9TLR8TLR7
Glpg-0259 SCHEMBL1570157 0.75 MAPKAPK5 (0.49) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL2387713 0.75 SYK (0.43) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL1570378 0.74 MAPKAPK5 (0.66) SYKMAPKAPK5PIK3CD

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 4 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 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

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 SYK 3339/4885MAPKAPK5 131/4885TLR9 3071/4885

“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.