SCHEMBL13048860

SCHEMBL13048860

COc1cncc(-c2nc(Cl)c(N(C)C(=O)CCSC)s2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.38
PIK3CG P48736 4/20 0.37
PIK3CA P42336 3/20 0.37
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
DYRK2 Q92630 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
CYP11B2 P19099 4/20 0.34
CYP11B1 P15538 3/20 0.34
CYP17A1 P05093 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 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
SCHEMBL13048828 0.89 ALOX5 (0.35) DYRK1AMKNK1MKNK2
SCHEMBL13048092 0.87 PIK3CG (0.32) DYRK1APIK3CGCYP11B2CYP11B1CYP17A1
SCHEMBL13074695 0.87 DYRK1A (0.33) DYRK1A
SCHEMBL13048852 0.85 ALOX5 (0.33)
SCHEMBL13048850 0.84 PIK3CG (0.35) DYRK1APIK3CGCYP11B2CYP11B1
SCHEMBL13048861 0.84 DYRK1A (0.37) DYRK1APIK3CGPIK3CAMKNK1MKNK2
SCHEMBL13075090 0.84 CYP11B1 (0.34) CYP11B2CYP11B1
SCHEMBL13048910 0.82 GRM2 (0.35) DYRK1APIK3CGPIK3CAKDM4EALDH1A1
SCHEMBL3751454 0.81 HSD17B10 (0.43) KDM4EALDH1A1HSD17B10CYP3A4CYP1A2
SCHEMBL15047374 0.80 DYRK1A (0.33) DYRK1APIK3CGKDM4EALDH1A1TP53

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-20150045218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-02-12 US disclosed
US-20150045218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-02-12 US disclosed
US-8853246-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-10-07 US disclosed
US-8853246-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-10-07 US disclosed
US-20130089622-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-04-11 US disclosed
US-20130089622-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-04-11 US disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US 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 (4 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-20100292253-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 DYRK1A 3841/4885PIK3CG 795/4885PIK3CA 1801/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 DYRK1A 3841/4885PIK3CG 795/4885PIK3CA 1801/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 DYRK1A 3841/4885PIK3CG 795/4885PIK3CA 1801/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 DYRK1A 3841/4885PIK3CG 795/4885PIK3CA 1801/4885

“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.