SCHEMBL2045567

SCHEMBL2045567

O=C(Cc1ccncn1)c1ccc(Cl)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
KMT2A Q03164 7/20 0.46
MEN1 O00255 5/20 0.46
POLB P06746 4/20 0.46
ALDH1A1 P00352 8/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 5/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
MCL1 Q07820 1/20 0.43
F2 P00734 1/20 0.42
DAO P14920 1/20 0.42
GLA P06280 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL2041864 0.79 GSK3B (0.50) GSK3BKMT2AMEN1POLBALDH1A1
SCHEMBL2048456 0.78 GSK3B (0.56) GSK3BKMT2AMEN1POLBALDH1A1
SCHEMBL2040576 0.74 GSK3B (0.44) GSK3BKMT2AMEN1POLBALDH1A1
SCHEMBL6601015 0.74 RAB9A (0.65) GSK3BKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL2041779 0.71 GSK3B (0.41) GSK3BKMT2AMEN1POLBALDH1A1
SCHEMBL2042913 0.71 GSK3B (0.50) GSK3BKMT2AMEN1POLBALDH1A1
SCHEMBL10612482 0.71 GSK3B (0.50) GSK3BKMT2AMEN1POLBALDH1A1
SCHEMBL28801423 0.70 GABBR2 (0.37) GSK3BKMT2AMEN1POLBALDH1A1
SCHEMBL29130629 0.70 PLOD2 (0.53) GSK3BKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL29986565 0.70 PLOD2 (0.53) GSK3BKMT2AMEN1ALDH1A1L3MBTL1

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 GSK3B 3357/4885KMT2A 2470/4885MEN1 209/4885

“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.