SCHEMBL13041410

SCHEMBL13041410

Cc1sc(-c2ccncc2)nc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NLRP1 Q9C000 1/20 0.38
▸ HRH3 Q9Y5N1 5/20 0.37
▸ MAPT P10636 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ CDC7 O00311 8/20 0.36
▸ DBF4 Q9UBU7 8/20 0.36
▸ CCNE1 P24864 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ KLK7 P49862 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
SCHEMBL13041486 0.86 PPARA (0.31) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL13041400 0.86 RAB9A (0.40) MEN1KMT2AKDM4EALDH1A1HRH3
SCHEMBL13041406 0.86 NPC1 (0.36) KDM4EMAPTIDO1
SCHEMBL13041528 0.83 PPARA (0.30) —
SCHEMBL13041424 0.80 KDM4E (0.38) KDM4EALDH1A1MAPTPOLB
SCHEMBL13041508 0.80 RAB9A (0.38) MEN1KMT2AALDH1A1MAPT
SCHEMBL13041408 0.79 MEN1 (0.33) PIK3CDPIK3CAMEN1KMT2AALDH1A1
SCHEMBL13041415 0.77 PTPN11 (0.34) —
SCHEMBL13041497 0.77 PTGS1 (0.33) —
SCHEMBL13041556 0.77 GAA (0.37) MEN1KMT2AKDM4EALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
EP-2173727-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2013-11-06 — — EP disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
WO-2009000533-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-12-31 — — 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-20100279868-A1 NOVEL HERBICIDES DDT, HPD, HSD17B1 PIK3CD 2585/4885PIK3CA 3249/4885PIK3CB 3183/4885

“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.

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