SCHEMBL4171540

SCHEMBL4171540

COCCOCCn1c(=O)c(-c2ccccc2Cl)cc2cnc(NN3CC4CCCC4C3)nc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIK2 Q9H0K1 4/20 0.52
SIK1 P57059 1/20 0.52
SIK3 Q9Y2K2 1/20 0.52
PAK1 Q13153 5/20 0.51
TNK2 Q07912 7/20 0.49
STK4 Q13043 3/20 0.48
STK3 Q13188 3/20 0.48
STK26 Q9P289 3/20 0.48
STK24 Q9Y6E0 3/20 0.48
PAK2 Q13177 4/20 0.47
LCK P06239 1/20 0.46
MAPK14 Q16539 1/20 0.46
SRC P12931 1/20 0.45
RIPK2 O43353 1/20 0.44
ACVR1 Q04771 1/20 0.44
NOD2 Q9HC29 1/20 0.44
FGFR1 P11362 1/20 0.43
ABL1 P00519 1/20 0.43

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
SCHEMBL4193028 0.95 PAK1 (0.54) SIK2SIK1SIK3PAK1TNK2
SCHEMBL4178334 0.92 TNK2 (0.53) SIK2SIK1SIK3PAK1TNK2
SCHEMBL4178500 0.91 PAK1 (0.46) SIK2SIK1SIK3PAK1TNK2
SCHEMBL4168966 0.88 PAK1 (0.51) SIK2SIK1SIK3PAK1TNK2
SCHEMBL4178386 0.86 PAK1 (0.50) SIK2SIK1SIK3PAK1TNK2
SCHEMBL4180893 0.83 TNK2 (0.53) SIK2SIK1SIK3PAK1TNK2
SCHEMBL4180959 0.83 CDK4 (0.45) SIK2SIK1SIK3PAK1TNK2
SCHEMBL4173564 0.83 MAPK14 (0.64) SIK2SIK1SIK3PAK1TNK2
SCHEMBL4183075 0.83 TNK2 (0.52) SIK2SIK1SIK3PAK1TNK2
SCHEMBL4187838 0.81 TNK2 (0.50) SIK2SIK1SIK3PAK1TNK2

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-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-02-05 US claimed
US-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-02-05 US disclosed
US-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-02-05 US disclosed
US-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-02-05 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-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS IL1B, TPMT, IL1R1 SIK2 4195/4885SIK1 2823/4885SIK3 4407/4885

“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.