SCHEMBL2050657

SCHEMBL2050657

CCC(C)n1cc(-c2ccncc2)c(-c2ccc(Cl)s2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
CYP2A6 P11509 1/20 0.35
BRAF P15056 8/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 4/20 0.32
MAPK3 P27361 3/20 0.32
MKNK1 Q9BUB5 1/20 0.32
DYRK1A Q13627 2/20 0.32
KCNH2 Q12809 1/20 0.32
PDE10A Q9Y233 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
STAT3 P40763 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SRC P12931 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
SCHEMBL2051352 0.87 MAPK13 (0.39) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL2053612 0.86 GRIN2B (0.34) CSNK1DCSNK1EMAPK14MAPTGRIN2B
SCHEMBL2049813 0.85 MAPK13 (0.39) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL2051410 0.85
SCHEMBL2050805 0.84 HSD17B1 (0.33) GRIN2B
SCHEMBL2052966 0.82 MAPK13 (0.35) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL2051153 0.82 LRRK2 (0.33) KCNH2GRIN2B
SCHEMBL2051404 0.79 AAK1 (0.39) MAPK14
SCHEMBL2052358 0.79 ANO1 (0.36) BRAFHSD17B10KDM4EGRIN2B
SCHEMBL2050091 0.78 CYP2A6 (0.35) CYP2A6MAPTMAPK1MKNK1LMNA

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.