SCHEMBL2053773

SCHEMBL2053773

CC(C)Cn1cc(-c2cc(N)ncn2)c(-c2ccc(Cl)s2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.35
ROCK1 Q13464 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
ABL1 P00519 4/20 0.32
SRC P12931 4/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EGFR P00533 4/20 0.31
JAK2 O60674 3/20 0.31
PIK3CD O00329 3/20 0.31
HCK P08631 3/20 0.31
KDR P35968 3/20 0.31
PIK3CA P42336 3/20 0.31
PIK3CB P42338 3/20 0.31
MTOR P42345 3/20 0.31
PIK3CG P48736 3/20 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
SCHEMBL2050524 0.83 BRAF (0.36) ROCK1AAK1MAPK14GRIN2B
SCHEMBL2051449 0.77 AAK1 (0.35) AAK1ALDH1A1MAPTCSNK1DMAPK14
SCHEMBL2050761 0.75 TRPV3 (0.32) ALDH1A1POLBMAPTTSHRHSD17B10
SCHEMBL27894271 0.73
SCHEMBL2053136 0.72 TGFBR1 (0.47) AAK1MAPK14
SCHEMBL27894182 0.72 S1PR1 (0.32)
SCHEMBL27894349 0.72 TGFBR1 (0.33) MAPK14
SCHEMBL2050927 0.70 MAPK8 (0.31) MAPK14
SCHEMBL2053630 0.69 AAK1 (0.42) AAK1ALDH1A1POLBTSHRMAPK14
SCHEMBL27894231 0.69

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 KMO 1912/4885ROCK1 2479/4885AAK1 2191/4885

“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.