SCHEMBL13625142

SCHEMBL13625142

CCOc1cc(-c2cnc(Nc3ccc(N4CCN(C(C)C)C(C)C4)cc3)c3ncnn23)ccn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 8/20 0.48
CDK4 P11802 4/20 0.38
CCND1 P24385 4/20 0.38
CDK2 P24941 4/20 0.38
FYN P06241 1/20 0.35
ACACB O00763 3/20 0.33
TTK P33981 1/20 0.33
CHEK1 O14757 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
KDM1A O60341 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
SCHEMBL12305790 0.88 MAPKAPK5 (0.48) MAPKAPK5CDK4CCND1CDK2FYN
SCHEMBL1570305 0.83 SYK (0.43) MAPKAPK5FYNTTK
SCHEMBL1476080 0.77 MAPKAPK5 (0.67) MAPKAPK5KDM1A
SCHEMBL2220398 0.74 MAPKAPK5 (0.54) MAPKAPK5CDK2FYNKDM1A
SCHEMBL1475749 0.74 MAPKAPK5 (0.54) MAPKAPK5CDK2FYNKDM1A
SCHEMBL12306164 0.72 MAPKAPK5 (0.61) MAPKAPK5CDK4CCND1CDK2CHEK1
SCHEMBL13615999 0.72 MAPKAPK5 (0.42) MAPKAPK5FYNTTK
SCHEMBL1476141 0.72 MAPKAPK5 (0.51) MAPKAPK5CDK2FYN
SCHEMBL1674234 0.71 MAPKAPK5 (0.66) MAPKAPK5FYN
SCHEMBL1674193 0.71 FYN (0.66) MAPKAPK5FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPKAPK5 131/4885CDK4 207/4885CCND1 1763/4885

“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.