SCHEMBL2051999

SCHEMBL2051999

CC(C)n1cc(-c2ccnc(NCc3ccccc3)n2)c(-c2ccc(Cl)s2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.44
MAPK14 Q16539 2/20 0.42
CDK4 P11802 2/20 0.41
GSK3B P49841 2/20 0.41
PGRMC1 O00264 1/20 0.41
RIPK2 O43353 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM3 P20309 1/20 0.41
CCKBR P32239 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
PCYT1A P49585 1/20 0.41
GSK3A P49840 1/20 0.41
IRAK1 P51617 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41

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
SCHEMBL27894148 0.92 BRAF (0.46) BRAFMAPK14CDK4GSK3BPGRMC1
SCHEMBL2053313 0.84 BRAF (0.44) BRAFMAPK14CDK4GSK3BPGRMC1
SCHEMBL2048845 0.80 BRAF (0.43) BRAFMAPK14CDK4GSK3BPGRMC1
SCHEMBL1554725 0.79 MAPK14 (0.52) BRAFMAPK14GSK3B
SCHEMBL2051371 0.78 BRAF (0.52) BRAFMAPK14CDK4CDK2
SCHEMBL2051205 0.77 LMNA (0.50) BRAFMAPK14CDK2
SCHEMBL28799063 0.75 BRAF (0.37) BRAFMAPK14CDK4GSK3BPGRMC1
SCHEMBL2051001 0.75 BRAF (0.44) BRAFMAPK14CDK4GSK3BPGRMC1
SCHEMBL2052063 0.73 BRAF (0.37) BRAFMAPK14CDK4GSK3BPGRMC1
SCHEMBL2053630 0.70 AAK1 (0.42) MAPK14

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 3 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
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 3753/4885CDK4 386/4885

“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.