SCHEMBL4186477

SCHEMBL4186477

Cn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(NN3CC4CCCC4C3)nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 5/20 0.54
NOD2 Q9HC29 5/20 0.54
MAPK14 Q16539 2/20 0.51
LCK P06239 1/20 0.51
FGFR1 P11362 8/20 0.50
WEE1 P30291 2/20 0.48
STK4 Q13043 1/20 0.48
STK3 Q13188 1/20 0.48
SIK2 Q9H0K1 1/20 0.48
STK26 Q9P289 1/20 0.48
STK24 Q9Y6E0 1/20 0.48
EGFR P00533 4/20 0.47
SRC P12931 4/20 0.47
PAK1 Q13153 2/20 0.47
HDAC3 O15379 1/20 0.47
PAK3 O75914 1/20 0.47
PAK2 Q13177 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL4186057 0.91 RIPK2 (0.56) RIPK2NOD2MAPK14LCKFGFR1
SCHEMBL4173564 0.90 MAPK14 (0.64) RIPK2NOD2MAPK14LCKFGFR1
SCHEMBL4192757 0.89 RIPK2 (0.53) RIPK2NOD2MAPK14LCKFGFR1
SCHEMBL4171282 0.86 FGFR1 (0.52) RIPK2MAPK14LCKFGFR1WEE1
SCHEMBL4183812 0.86 FGFR1 (0.68) MAPK14FGFR1WEE1EGFRSRC
SCHEMBL4180336 0.83 MAPK8 (0.50) RIPK2NOD2MAPK14FGFR1WEE1
SCHEMBL4181014 0.83 WEE1 (0.51) MAPK14LCKFGFR1WEE1EGFR
SCHEMBL4183495 0.82 WEE1 (0.52) MAPK14LCKFGFR1WEE1EGFR
SCHEMBL4180313 0.82 FGFR1 (0.47) RIPK2NOD2MAPK14LCKFGFR1
SCHEMBL4178720 0.81 FGFR1 (0.47) RIPK2NOD2MAPK14LCKFGFR1

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
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 RIPK2 2333/4885NOD2 97/4885MAPK14 1323/4885

“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.