SCHEMBL2389376

SCHEMBL2389376

CCOC(=O)c1cc(-c2cnc(Nc3ccc(N4C[C@@H]5C[C@H]4CN5C(C)C)cc3)c3ncnn23)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
MAPKAPK5 Q8IW41 3/20 0.37
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MAP4K4 O95819 1/20 0.32
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
KDR P35968 1/20 0.31
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2387713 0.89 SYK (0.43) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL2389258 0.79 MAPKAPK5 (0.40) SYKMAPKAPK5
SCHEMBL1570305 0.78 SYK (0.43) SYKMAPKAPK5MAPTTLR9TLR8
SCHEMBL2389685 0.76 MAPKAPK5 (0.64) SYKMAPKAPK5TLR9TLR8TLR7
Glpg-0259 SCHEMBL1570157 0.75 MAPKAPK5 (0.49) SYKMAPKAPK5TLR9TLR8TLR7
Glpg-0259 SCHEMBL1889564 0.75 MAPKAPK5 (0.49) SYKMAPKAPK5TLR9TLR8TLR7
Glpg-0259 SCHEMBL12661679 0.75 MAPKAPK5 (0.49) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL1887992 0.75 SYK (0.46) SYKMAPKAPK5LMNAMAPTTLR9
SCHEMBL2390977 0.74 SYK (0.40) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL2394082 0.73 MAPKAPK5 (0.47) SYKMAPKAPK5TLR9TLR8TLR7

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 disclosed
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
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 SYK 3339/4885MAPKAPK5 131/4885ALDH1A1 960/4885

“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.