SCHEMBL2051579

SCHEMBL2051579

CCN(C(=O)O)c1cc(-c2cn(C(C)C)nc2-c2ccc(Cl)s2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.34
GRIN1 Q05586 2/20 0.34
BRAF P15056 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
F10 P00742 1/20 0.31
NAMPT P43490 1/20 0.31
PIK3CA P42336 1/20 0.31
JMJD6 Q6NYC1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL2052753 0.85 GRIN2B (0.34) GRIN2BGRIN1BRAFHSD17B1HSD17B2
SCHEMBL2051408 0.80 MAPK14 (0.42) GRIN2BBRAFALDH1A1
SCHEMBL13506674 0.80 MEN1 (0.41)
SCHEMBL2053541 0.79 HSD17B1 (0.36) GRIN2BBRAFHSD17B1HSD17B2ALDH1A1
SCHEMBL2050522 0.78 BRAF (0.39) GRIN2BBRAFHSD17B1HSD17B2ALDH1A1
SCHEMBL2053134 0.76 PIK3C3 (0.46) F10
SCHEMBL2051352 0.74 MAPK13 (0.39) BRAFHSD17B1HSD17B2TSHR
SCHEMBL2053612 0.74 GRIN2B (0.34) GRIN2BHSD17B1HSD17B2ALDH1A1
SCHEMBL16105522 0.73 CSNK1D (0.44) PTGDR2
SCHEMBL2051404 0.73 AAK1 (0.39)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRIN2B 2239/4885GRIN1 417/4885BRAF 3322/4885

“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.