SCHEMBL4180893

SCHEMBL4180893

O=c1c(-c2ccccc2Cl)cc2cnc(NN3CC4CCCC4C3)nc2n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 10/20 0.53
PAK1 Q13153 1/20 0.50
SIK1 P57059 1/20 0.49
SIK2 Q9H0K1 1/20 0.49
SIK3 Q9Y2K2 1/20 0.49
ABL1 P00519 1/20 0.48
LCK P06239 1/20 0.47
MAPK14 Q16539 1/20 0.47
FGFR2 P21802 2/20 0.46
RIPK2 O43353 1/20 0.45
ACVR1 Q04771 1/20 0.45
NOD2 Q9HC29 1/20 0.45
FGFR1 P11362 2/20 0.44
EGFR P00533 1/20 0.44
SRC P12931 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
SCHEMBL4187838 0.93 TNK2 (0.50) TNK2PAK1SIK1SIK2SIK3
SCHEMBL4183089 0.91 TNK2 (0.50) TNK2PAK1SIK1SIK2SIK3
SCHEMBL4173629 0.90 TNK2 (0.46) TNK2PAK1SIK1SIK2SIK3
SCHEMBL4183075 0.89 TNK2 (0.52) TNK2PAK1SIK1SIK2SIK3
SCHEMBL4180889 0.89 TNK2 (0.45) TNK2PAK1SIK1SIK2SIK3
SCHEMBL4193028 0.86 PAK1 (0.54) TNK2PAK1SIK1SIK2SIK3
SCHEMBL4178376 0.85 TNK2 (0.43) TNK2PAK1SIK1SIK2SIK3
SCHEMBL4173564 0.85 MAPK14 (0.64) TNK2PAK1SIK1SIK2SIK3
SCHEMBL4178334 0.85 TNK2 (0.53) TNK2PAK1SIK1SIK2SIK3
SCHEMBL4187972 0.84 LCK (0.49) TNK2PAK1SIK1SIK2SIK3

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
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
EP-1846403-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2007-10-24 EP disclosed
WO-2006082492-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 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-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS IL1B, TPMT, IL1R1 TNK2 994/4885PAK1 783/4885SIK1 2823/4885

“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.