SCHEMBL2052243

SCHEMBL2052243

CSc1nccc(C(=CN(C)C)C(=O)c2ccc(Cl)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
F2 P00734 1/20 0.33
DAO P14920 1/20 0.33
PIK3CA P42336 1/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL2052241 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EGAALMNAKMT2A
SCHEMBL2925772 0.80 LMNA (0.38) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL2925771 0.80 LMNA (0.38) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL2054269 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL2054268 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL2043620 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL2388511 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL13359304 0.79 IGFBP3 (0.36) ALDH1A1KDM4EGAALMNAKMT2A
SCHEMBL1554250 0.78 ALDH1A1 (0.38) ALDH1A1GAALMNAKMT2ARAB9A
SCHEMBL1555344 0.78 ALDH1A1 (0.38) ALDH1A1GAALMNAKMT2ARAB9A

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 ALDH1A1 1184/4885KDM4E 2907/4885GAA 2423/4885

“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.