SCHEMBL4178334

SCHEMBL4178334

CCOCCn1c(=O)c(-c2ccccc2Cl)cc2cnc(NN3CC4CCCC4C3)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 11/20 0.53
PAK1 Q13153 3/20 0.52
SIK2 Q9H0K1 2/20 0.51
SIK1 P57059 1/20 0.51
SIK3 Q9Y2K2 1/20 0.51
SRC P12931 2/20 0.47
LCK P06239 1/20 0.47
MAPK14 Q16539 1/20 0.47
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CCND2 P30279 1/20 0.45
CCND3 P30281 1/20 0.45
PAK2 Q13177 2/20 0.44
ABL1 P00519 1/20 0.44
RIPK2 O43353 1/20 0.44
ACVR1 Q04771 1/20 0.44
NOD2 Q9HC29 1/20 0.44
STK4 Q13043 1/20 0.43
STK3 Q13188 1/20 0.43
STK26 Q9P289 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
SCHEMBL4171540 0.92 SIK2 (0.52) TNK2PAK1SIK2SIK1SIK3
SCHEMBL4193028 0.92 PAK1 (0.54) TNK2PAK1SIK2SIK1SIK3
SCHEMBL4180959 0.91 CDK4 (0.45) TNK2PAK1SIK2SIK1SIK3
SCHEMBL4168966 0.89 PAK1 (0.51) TNK2PAK1SIK2SIK1SIK3
SCHEMBL4180893 0.85 TNK2 (0.53) TNK2PAK1SIK2SIK1SIK3
SCHEMBL4173564 0.84 MAPK14 (0.64) TNK2PAK1SIK2SIK1SIK3
SCHEMBL4183075 0.84 TNK2 (0.52) TNK2PAK1SIK2SIK1SIK3
SCHEMBL4178500 0.83 PAK1 (0.46) TNK2PAK1SIK2SIK1SIK3
SCHEMBL4178386 0.83 PAK1 (0.50) TNK2PAK1SIK2SIK1SIK3
SCHEMBL4187838 0.82 TNK2 (0.50) TNK2PAK1SIK2SIK1SIK3

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 6 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
EP-1846403-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2007-10-24 EP claimed
WO-2006082492-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 WO 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 TNK2 994/4885PAK1 783/4885SIK2 4195/4885

“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.