SCHEMBL2052966

SCHEMBL2052966

CCC(C)n1cc(-c2ccncc2)c(-c2cc(Cl)cs2)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
BRAF P15056 9/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PDE10A Q9Y233 7/20 0.35
MAPK3 P27361 2/20 0.33
MAPK1 P28482 2/20 0.33
PDE4A P27815 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE3B Q13370 3/20 0.32
PDE3A Q14432 2/20 0.32
KCNH2 Q12809 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL2050657 0.82 MAPK13 (0.36) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL2050801 0.80 GRIN2B (0.31) BRAF
SCHEMBL2050358 0.79 MAPK14 (0.38) CSNK1DMAPK14
SCHEMBL2052156 0.79 ACHE (0.30)
SCHEMBL2050803 0.78 CSNK1D (0.33) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL2049813 0.77 MAPK13 (0.39) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL1647505 0.74 MAPK14 (0.62) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL1647136 0.72 MAPK14 (0.40) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL2053612 0.71 GRIN2B (0.34) CSNK1DCSNK1EMAPK14
SCHEMBL2050805 0.70 HSD17B1 (0.33)

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
EP-2516423-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2012-10-31 EP disclosed
CN-102762551-A Thienylpyri (mi) dinylpyrazoles and their use for controlling phytopathogenic fungi BAYER CROPSCIENCE AG 2012-10-31 CN disclosed
US-20110237588-A1 Thienylpyri(mi)dinylazole BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
WO-2011076725-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-06-30 WO 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-20110237588-A1 Thienylpyri(mi)dinylazole PADI1, TH, H1-3 MAPK13 3358/4885CSNK1D 454/4885CSNK1E 570/4885

“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.