SCHEMBL4178302

SCHEMBL4178302

O=c1c(Oc2ccc(Cl)cc2F)cc2cnc(NN3CC4CCCC4C3)nc2n1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.55
MAPK8 P45983 9/20 0.46
RPS6KA4 O75676 2/20 0.42
MAPK9 P45984 2/20 0.42
RPS6KA3 P51812 2/20 0.42
MAPK10 P53779 2/20 0.42
MAPK11 Q15759 2/20 0.42
NLK Q9UBE8 2/20 0.42
GAK O14976 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
MAPK1 P28482 1/20 0.42
CSNK1D P48730 1/20 0.42
DDR1 Q08345 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
COQ8A Q8NI60 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
STK36 Q9NRP7 1/20 0.42
CSNK1E P49674 1/20 0.40

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
SCHEMBL13951282 1.00 MAPK14 (0.55) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3
SCHEMBL4180204 0.89 MAPK8 (0.59) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3
SCHEMBL4186016 0.89 MAPK14 (0.56) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3
SCHEMBL4179286 0.88 MAPK14 (0.44) MAPK14MAPK8MAPK1
SCHEMBL4179363 0.85 MAPK14 (0.49) MAPK14MAPK8
SCHEMBL4180345 0.82 MAPK14 (0.47) MAPK14MAPK8
SCHEMBL4175970 0.79 MEN1 (0.45) MAPK1
SCHEMBL4175395 0.79 USP2 (0.47) MAPK14MAPK8MAPK1
SCHEMBL4181033 0.79 MAPK14 (0.44) MAPK14MAPK8MAPK1
SCHEMBL4178345 0.77 MAPK14 (0.65) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3

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 5 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
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 MAPK14 1323/4885MAPK8 2442/4885RPS6KA4 1205/4885

“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.