SCHEMBL4186016

SCHEMBL4186016

O=c1c(Oc2ccccc2F)cc2cnc(NN3CC4CCCC4C3)nc2n1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.56
MAPK8 P45983 8/20 0.46
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
GAK O14976 1/20 0.42
RPS6KA4 O75676 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1D P48730 1/20 0.42
RPS6KA3 P51812 1/20 0.42
MAPK10 P53779 1/20 0.42
DDR1 Q08345 1/20 0.42
MAPK11 Q15759 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
NLK Q9UBE8 1/20 0.42

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
SCHEMBL4180345 0.89 MAPK14 (0.47) MAPK14MAPK8CDK4CCND1CCNA2
SCHEMBL4179363 0.89 MAPK14 (0.49) MAPK14MAPK8CDK4CCND1CCNA2
SCHEMBL4178302 0.89 MAPK14 (0.55) MAPK14MAPK8GAKRPS6KA4PRKD3
SCHEMBL13951282 0.89 MAPK14 (0.55) MAPK14MAPK8GAKRPS6KA4PRKD3
SCHEMBL4178345 0.88 MAPK14 (0.65) MAPK14MAPK8GAKRPS6KA4PRKD3
SCHEMBL4193017 0.84 CCND1 (0.44) MAPK14CDK4CCND1CCNA2CDK2
SCHEMBL4179286 0.83 MAPK14 (0.44) MAPK14MAPK8CDK4CCND1MAPK1
SCHEMBL4175395 0.82 USP2 (0.47) MAPK14MAPK8CDK4CCND1MAPK1
SCHEMBL4181033 0.82 MAPK14 (0.44) MAPK14MAPK8CDK4CCND1MAPK1
SCHEMBL4186590 0.82 CCND1 (0.48) CDK4CCND1CCNA2CDK2CCND2

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 MAPK14 1323/4885MAPK8 2442/4885CDK4 1224/4885

“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.