SCHEMBL3100712

SCHEMBL3100712

CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nn3c2CS(O)(O)CC3)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.48
MAPK14 Q16539 14/20 0.47
MAPK13 O15264 11/20 0.42
MAPK12 P53778 11/20 0.42
MAPK11 Q15759 11/20 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
SCHEMBL3100701 0.89 MAPK14 (0.49) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL3094572 0.84 MAPK14 (0.52) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL3107825 0.81 CSNK1D (0.49) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL3108242 0.81 CSNK1D (0.71) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL3102530 0.81 CSNK1D (0.51) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL3102430 0.79 CSNK1D (0.47) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL3102415 0.77 MAPK14 (0.52) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL3112056 0.77 MAPK14 (0.51) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL10290856 0.74 CSNK1D (0.54) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL3110779 0.74 CSNK1D (0.66) CSNK1DMAPK14MAPK13MAPK12MAPK11

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 CSNK1D 1670/4885MAPK14 3609/4885MAPK13 3354/4885

“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.