SCHEMBL2053087

SCHEMBL2053087

Cc1csc(-c2ccn(C)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.42
TDP2 O95551 2/20 0.41
KMT2A Q03164 1/20 0.41
KEAP1 Q14145 1/20 0.39
PIK3CD O00329 1/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
JMJD6 Q6NYC1 4/20 0.35
BACE1 P56817 1/20 0.34
TGFBR1 P36897 2/20 0.34
SCN4A P35499 1/20 0.33
GRIN2B Q13224 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL2050809 0.80 MET (0.40) METTDP2KMT2AJMJD6BACE1
SCHEMBL2050605 0.80 MET (0.41) METTDP2JMJD6GRIN2BGRIN1
SCHEMBL2053284 0.80 DYRK1A (0.40) METTDP2BACE1GRIN2BGABRA1
SCHEMBL2051571 0.75 MET (0.39) METTDP2GRIN2BGRIN1
SCHEMBL937382 0.72 JMJD6 (0.57) JMJD6
SCHEMBL9046022 0.71 PTGS2 (0.42) METTDP2
SCHEMBL3839045 0.70 PDE4A (0.41) METTDP2KMT2ABACE1
SCHEMBL9773308 0.70 DAO (0.44) METTDP2GRIN2BGRIN1
SCHEMBL18157906 0.70 KMT2A (0.64) KMT2AKEAP1PIK3CDPIP5K1CPIK3CA
SCHEMBL9385111 0.69 KMT2A (0.51) KMT2A

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 MET 3340/4885TDP2 2004/4885KMT2A 2470/4885

“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.