SCHEMBL14411554

SCHEMBL14411554

CC(C)(O)CCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.65
MAPK11 Q15759 10/20 0.47
KCNH2 Q12809 1/20 0.43
BRAF P15056 1/20 0.43
MAPK13 O15264 4/20 0.38
MAPK12 P53778 4/20 0.38
MAPK9 P45984 3/20 0.38
CSNK1D P48730 3/20 0.38
MAP4K4 O95819 2/20 0.38
CSNK1A1 P48729 2/20 0.38
PRKD3 O94806 1/20 0.38
FRK P42685 1/20 0.38
GCGR P47871 1/20 0.38
GSK3B P49841 1/20 0.38
PTK6 Q13882 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MAPK10 P53779 1/20 0.38
CDC42BPA Q5VT25 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL14521895 0.83 MAPK14 (0.70) MAPK14MAPK11KCNH2MAPK13MAPK12
SCHEMBL14521804 0.82 MAPK14 (0.72) MAPK14MAPK11KCNH2BRAFMAPK13
SCHEMBL14521854 0.81 MAPK14 (0.67) MAPK14MAPK11KCNH2BRAFMAPK13
SCHEMBL14411792 0.81 MAPK14 (0.70) MAPK14MAPK11KCNH2BRAFMAPK13
SCHEMBL5258301 0.80 MAPK14 (0.66) MAPK14MAPK11KCNH2MAPK13MAPK12
SCHEMBL5260149 0.80 MAPK14 (0.69) MAPK14MAPK11KCNH2MAPK13MAPK12
SCHEMBL14521805 0.80 MAPK14 (0.69) MAPK14MAPK11KCNH2BRAFMAPK13
SCHEMBL5828693 0.79 MAPK14 (0.61) MAPK14MAPK11KCNH2MAPK13MAPK12
SCHEMBL4334246 0.79 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL6331135 0.78 MAPK14 (0.63) MAPK14MAPK11KCNH2BRAFMAPK13

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAPK14 7/4885MAPK11 42/4885KCNH2 3902/4885

“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.