SCHEMBL2053136

SCHEMBL2053136

CC(C)Cn1cc(-c2ccnc3ccccc23)c(-c2ccc(Cl)s2)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.47
MAPK14 Q16539 5/20 0.47
AAK1 Q2M2I8 10/20 0.41
GRM4 Q14833 1/20 0.38
BMPR1B O00238 1/20 0.35
ACVR1B P36896 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL2051449 0.80 AAK1 (0.35) MAPK14AAK1
SCHEMBL27894349 0.78 TGFBR1 (0.33) TGFBR1MAPK14
SCHEMBL2050524 0.77 BRAF (0.36) MAPK14AAK1
SCHEMBL27894271 0.75
SCHEMBL2053630 0.73 AAK1 (0.42) MAPK14AAK1
SCHEMBL2050761 0.73 TRPV3 (0.32)
SCHEMBL2053773 0.72 KMO (0.35) MAPK14AAK1
SCHEMBL27894348 0.72 MAPK14 (0.42) MAPK14
SCHEMBL27894182 0.69 S1PR1 (0.32)
SCHEMBL2051412 0.68 GRIN2B (0.34)

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 TGFBR1 573/4885MAPK14 3753/4885AAK1 2191/4885

“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.