SCHEMBL2053541

SCHEMBL2053541

CC(C)n1cc(-c2ccnc(Cl)c2)c(-c2ccc(Cl)s2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
GRIN2B Q13224 2/20 0.34
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRAF P15056 3/20 0.32
CYP2A6 P11509 1/20 0.32
MAPK14 Q16539 2/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
IDO1 P14902 1/20 0.32
RORB Q92753 2/20 0.31
AAK1 Q2M2I8 1/20 0.31
RORC P51449 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL2050522 0.89 BRAF (0.39) HSD17B1HSD17B2GRIN2BMEN1ALDH1A1
SCHEMBL2053612 0.89 GRIN2B (0.34) HSD17B1HSD17B2GRIN2BPDE4DMEN1
SCHEMBL2051352 0.85 MAPK13 (0.39) HSD17B1HSD17B2MAPTBRAFCYP2A6
SCHEMBL2051449 0.84 AAK1 (0.35) HSD17B1HSD17B2GRIN2BPDE4DMEN1
SCHEMBL13506674 0.82 MEN1 (0.41) MEN1KMT2AMAPK14
SCHEMBL2052753 0.82 GRIN2B (0.34) HSD17B1HSD17B2GRIN2BALDH1A1MAPT
SCHEMBL2051408 0.80 MAPK14 (0.42) GRIN2BMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL13506917 0.80 CYP2A6 (0.31) CYP2A6
SCHEMBL2053134 0.79 PIK3C3 (0.46) MAPK14
SCHEMBL2051579 0.79 GRIN2B (0.34) HSD17B1HSD17B2GRIN2BALDH1A1BRAF

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 HSD17B1 1906/4885HSD17B2 2924/4885GRIN2B 2239/4885

“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.