SCHEMBL16030301

SCHEMBL16030301

CC(=O)c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ LIPE Q05469 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KCNJ1 P48048 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM2B Q8NHM5 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ PFKFB3 Q16875 1/20 0.39
▸ PTGS2 P35354 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
SCHEMBL16028029 0.89 MAPT (0.44) ADORA3BCHEACHELIPESMN1; SMN2
SCHEMBL16027636 0.89 AURKA (0.46) BCHEACHELIPEKDM5AKDM2B
SCHEMBL16030133 0.89 KDM5A (0.40) TP53ADORA3BCHEACHELIPE
SCHEMBL16030134 0.89 KDM5A (0.40) TP53ADORA3BCHEACHELIPE
SCHEMBL16030661 0.87 SMN1; SMN2 (0.43) TP53ADORA3BCHEACHELIPE
SCHEMBL16030062 0.87 NR4A1 (0.42) TP53ADORA3BCHEACHELIPE
SCHEMBL16030063 0.87 NR4A1 (0.42) TP53ADORA3BCHEACHELIPE
SCHEMBL16030211 0.87 NR4A1 (0.42) TP53ADORA3BCHEACHELIPE
SCHEMBL23803487 0.86 ADORA3 (0.41) ADORA3BCHEACHELIPEKDM5A
SCHEMBL17454614 0.86 CHRNA7 (0.54) ADORA3SMN1; SMN2MAPTHTTABL1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970176-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-10-25 — — EP disclosed
EP-2970176-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-10-25 — — EP disclosed
CN-111163638-B Pesticidal compositions and methods 美国陶氏益农公司 2023-07-25 — — CN disclosed
US-20230203026-A1 PESTICIDAL COMPOSITIONS AND METHODS CORTEVA AGRISCIENCE LLC (US) 2023-06-29 — — US disclosed
US-20210380576-A1 PESTICIDAL COMPOSITIONS AND METHODS DOW AGROSCIENCES LLC (US) 2021-12-09 — — US disclosed
EP-3720281-A1 PESTICIDAL COMPOSITIONS AND METHODS Dow Agrosciences LLC (US) 2020-10-14 — — EP disclosed
CN-111163638-A Pesticidal compositions and methods 美国陶氏益农公司 2020-05-15 — — CN disclosed
WO-2019113006-A1 PESTICIDAL COMPOSITIONS AND METHODS DOW AGROSCIENCES LLC (US) 2019-06-13 — — WO disclosed
US-20180093951-A1 PESTICIDALLY ACTIVE CARBAMOYLATED AND THIOCARBAMOYLATED OXIME DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-05 — — US disclosed
US-20180093951-A1 PESTICIDALLY ACTIVE CARBAMOYLATED AND THIOCARBAMOYLATED OXIME DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-05 — — US disclosed
US-9029560-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2015-05-12 — — US disclosed
WO-2014160031-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 — — WO disclosed
WO-2014160031-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 — — WO disclosed
US-20140274688-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 — — US disclosed
US-20140274688-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 — — US disclosed
US-20140275524-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 — — US disclosed
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 — — US disclosed
US-20140275524-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 — — US disclosed
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 — — US disclosed
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 — — 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 (6 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-20140275524-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TP53 4500/4885ADORA3 1577/4885BCHE 17/4885
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TP53 4500/4885ADORA3 1577/4885BCHE 17/4885
US-20230203026-A1 PESTICIDAL COMPOSITIONS AND METHODS ACHE, DDT, PLA2G2D TP53 4452/4885ADORA3 1096/4885BCHE 7/4885
US-20210380576-A1 PESTICIDAL COMPOSITIONS AND METHODS ACHE, DDT, PLA2G2D TP53 4452/4885ADORA3 1096/4885BCHE 7/4885
US-20140274688-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TP53 4500/4885ADORA3 1577/4885BCHE 17/4885
US-20180093951-A1 PESTICIDALLY ACTIVE CARBAMOYLATED AND THIOCARBAMOYLATED OXIME DERIVATIVES ACHE, DDT, BCHE TP53 4512/4885ADORA3 3928/4885BCHE 3/4885

“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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