SCHEMBL3102248

SCHEMBL3102248

CC(CO)Nc1nccc(-c2c(-c3ccc(F)cc3)nn3c2CCCN3C(=O)OCc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.42
MAPK13 O15264 8/20 0.42
MAPK12 P53778 8/20 0.42
MAPK11 Q15759 8/20 0.42
MAPK1 P28482 1/20 0.38

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
SCHEMBL3091756 0.86 CSNK1D (0.47) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL3102476 0.85 CSNK1D (0.38) MAPK14MAPK13MAPK12MAPK11
SCHEMBL13254961 0.78 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3112056 0.77 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3095762 0.74 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL10290862 0.73 ACVR1 (0.48) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL3107492 0.73 ACVR1 (0.48) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL3102673 0.72 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3096765 0.72 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL3105536 0.72 CSNK1D (0.53) MAPK14MAPK13MAPK12MAPK11MAPK1

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-2217600-B1 FUNGICIDAL BICYCLIC PYRAZOLES DU PONT (US) 2012-12-05 EP disclosed
US-8288375-B2 Fungicidal bicyclic pyrazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-10-16 US disclosed
US-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 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-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES CYP1B1, CBR1, CYP1A1 MAPK14 3609/4885MAPK13 3354/4885MAPK12 4166/4885

“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.