SCHEMBL1887992

SCHEMBL1887992

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
MAPKAPK5 Q8IW41 3/20 0.38
TLR9 Q9NR96 4/20 0.36
TLR8 Q9NR97 4/20 0.36
TLR7 Q9NYK1 4/20 0.36
MAP3K12 Q12852 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
PIP4K2A P48426 1/20 0.32
FGFR4 P22455 1/20 0.31
TP53 P04637 1/20 0.31
CDK1 P06493 2/20 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
SCHEMBL1888880 1.00 SYK (0.46) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL2390949 0.87 SYK (0.44) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL18486780 0.87 SYK (0.36) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL18486778 0.87 SYK (0.36) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL18472051 0.84 SYK (0.53) SYKMAPKAPK5
SCHEMBL18472050 0.84 SYK (0.53) SYKMAPKAPK5
SCHEMBL25797090 0.80 SYK (0.49) SYKTLR9TLR8TLR7MAP3K12
SCHEMBL13616117 0.80 SYK (0.43) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL2389685 0.80 MAPKAPK5 (0.64) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL1570305 0.79 SYK (0.43) 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-20110118269-A1 FUSED PYRAZINE COMPOUNDS AS THEIR SALTS, USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2011-05-19 US disclosed
US-20110118269-A1 FUSED PYRAZINE COMPOUNDS AS THEIR SALTS, USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2011-05-19 US disclosed
US-20110118269-A1 FUSED PYRAZINE COMPOUNDS AS THEIR SALTS, USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2011-05-19 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110118269-A1 FUSED PYRAZINE COMPOUNDS AS THEIR SALTS, USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL1B, IL1A, NLRP3 SYK 2268/4885MAPKAPK5 89/4885TLR9 1666/4885
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.