SCHEMBL2053630

SCHEMBL2053630

CC(C)Cn1cc(-c2ccnc(NCc3ccccc3)c2)c(-c2ccc(Cl)s2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.42
MAPK14 Q16539 6/20 0.40
NOS2 P35228 1/20 0.39
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
KCNH2 Q12809 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
ESR1 P03372 1/20 0.35
ACHE P22303 3/20 0.35
HRH4 Q9H3N8 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 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
SCHEMBL27894348 0.91 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11ACHE
SCHEMBL2050927 0.85 MAPK8 (0.31) MAPK14HRH4
SCHEMBL2051449 0.82 AAK1 (0.35) AAK1MAPK14ALDH1A1
SCHEMBL2053684 0.81 AAK1 (0.42) AAK1MAPK14NOS2MAPK13MAPK12
SCHEMBL2050524 0.81 BRAF (0.36) AAK1MAPK14MAPK1
SCHEMBL27894349 0.74 TGFBR1 (0.33) MAPK14
SCHEMBL2053136 0.73 TGFBR1 (0.47) AAK1MAPK14
SCHEMBL27894172 0.73 HTR7 (0.41) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL2051412 0.72 GRIN2B (0.34)
SCHEMBL27894182 0.71 S1PR1 (0.32)

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 2191/4885MAPK14 3753/4885NOS2 829/4885

“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.