SCHEMBL2053313

SCHEMBL2053313

CC(C)Nc1nccc(-c2cn(C(C)C)nc2-c2ccc(Cl)s2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.44
MAPK14 Q16539 3/20 0.44
MAPK8 P45983 3/20 0.42
MAPK9 P45984 2/20 0.42
MAPK10 P53779 1/20 0.42
DHODH Q02127 1/20 0.40
PGRMC1 O00264 1/20 0.37
RIPK2 O43353 1/20 0.37
NR1I2 O75469 1/20 0.37
CDK4 P11802 1/20 0.37
CHRM3 P20309 1/20 0.37
CCKBR P32239 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
CSNK1A1 P48729 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
PCYT1A P49585 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
IRAK1 P51617 1/20 0.37

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
SCHEMBL2048845 0.85 BRAF (0.43) BRAFMAPK14MAPK8MAPK9PGRMC1
SCHEMBL2051999 0.84 BRAF (0.44) BRAFMAPK14MAPK8MAPK9PGRMC1
SCHEMBL2051371 0.83 BRAF (0.52) BRAFMAPK14CDK4MEN1ALDH1A1
SCHEMBL27894148 0.81 BRAF (0.46) BRAFMAPK14MAPK8MAPK9PGRMC1
SCHEMBL2051205 0.81 LMNA (0.50) BRAFMAPK14MEN1ALDH1A1MAPT
SCHEMBL2051001 0.80 BRAF (0.44) BRAFMAPK14MAPK8MAPK9PGRMC1
SCHEMBL2050535 0.79 MAPK8 (0.46) BRAFMAPK14MAPK8MAPK9MAPK10
SCHEMBL2052063 0.78 BRAF (0.37) BRAFMAPK14MAPK8MAPK9PGRMC1
SCHEMBL28799063 0.78 BRAF (0.37) BRAFMAPK14MAPK8MAPK9PGRMC1
SCHEMBL2049303 0.76 MAPK14 (0.46) BRAFMAPK14MAPK8MAPK9MAPK10

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 BRAF 3322/4885MAPK14 3753/4885MAPK8 3626/4885

“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.