SCHEMBL2053684

SCHEMBL2053684

CC(C)Cn1ncc(-c2ccnc(NCc3ccccc3)c2)c1-c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.42
NOS2 P35228 1/20 0.40
MAPK14 Q16539 6/20 0.39
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
PDE9A O76083 1/20 0.37
ESR1 P03372 1/20 0.35
ACHE P22303 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL27894172 0.91 HTR7 (0.41) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL2050850 0.81 S1PR1 (0.36) AAK1
SCHEMBL2053630 0.81 AAK1 (0.42) AAK1NOS2MAPK14MAPK13MAPK12
SCHEMBL2050760 0.80 S1PR1 (0.36) AAK1
SCHEMBL27894173 0.74 HPGDS (0.30)
SCHEMBL27894348 0.73 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11ACHE
SCHEMBL27877358 0.71 S1PR1 (0.33) ALDH1A1
SCHEMBL27877401 0.69 GRIN1 (0.30)
SCHEMBL2050927 0.66 MAPK8 (0.31) MAPK14HRH4
SCHEMBL13039226 0.66 NOS2 (0.50) AAK1NOS2MAPK14MAPK13MAPK12

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 AAK1 2191/4885NOS2 829/4885MAPK14 3753/4885

“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.