SCHEMBL13376751

SCHEMBL13376751

C[C@H]1CC[C@H](Nc2nccc(-c3cn(C4CCOC4)c(=O)n3-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
MAPK1 P28482 12/20 0.41
CSNK1D P48730 1/20 0.39
CCNA2 P20248 4/20 0.37
CDK2 P24941 4/20 0.37
MAPK3 P27361 4/20 0.37
FLT3 P36888 1/20 0.37
AOC3 Q16853 1/20 0.37
CDK4 P11802 1/20 0.37
MKNK1 Q9BUB5 2/20 0.36

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
SCHEMBL13376705 0.95 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL13376734 0.87 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL13376710 0.87 MAPK1 (0.45) MAPK1CCNA2CDK2MAPK3MKNK1
SCHEMBL13376715 0.86 MAPK1 (0.46) MAPK1CCNA2CDK2MAPK3FLT3
SCHEMBL13376730 0.86 MAPK14 (0.45) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL13376617 0.86 MAPK14 (0.45) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL13376613 0.86 MAPK1 (0.45) MAPK1CCNA2CDK2MAPK3FLT3
SCHEMBL13376718 0.86 MAPK1 (0.42) MAPK1CCNA2CDK2MAPK3FLT3
SCHEMBL13376781 0.86 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL13376763 0.86 IKBKB (0.47) MAPK13MAPK12MAPK11MAPK14MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700771-B2 Heterocyclic compound which may be used as a medicine having p38 MAP kinase inhibitory activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-04-20 US disclosed
US-20070185326-A1 antiinflammatory agents; antiarthritic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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-20070185326-A1 antiinflammatory agents; antiarthritic agents MAPK1, CHUK, MAPK3 MAPK13 5/4885MAPK12 13/4885MAPK11 16/4885

“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.