SCHEMBL20042476

SCHEMBL20042476

CCS(=O)(=O)c1ccc(NC(=O)NCCOC)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 8/20 0.40
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RIPK2 O43353 1/20 0.35
▸ DDR1 Q08345 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ MAPT P10636 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
SCHEMBL20042473 0.90 PIK3CA (0.40) MAPK1PIK3CAABL1DDR1
SCHEMBL20042460 0.90 CYP1A2 (0.34) MAPK1PIK3CASCN9ADDR1IRAK4
SCHEMBL20042456 0.89 CYP1A2 (0.33) MAPK1PIK3CADDR1CYP1A2CYP2C19
SCHEMBL20042474 0.88 CYP1A2 (0.33) MAPK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20042475 0.88 RORC (0.34) MAPK1PIK3CADDR1CYP1A2CYP2C19
SCHEMBL30051769 0.88 RORC (0.34) MAPK1PIK3CADDR1
SCHEMBL20042377 0.88 RORC (0.34) MAPK1PIK3CADDR1
SCHEMBL31534713 0.86 JAK1 (0.38) PIK3CADDR1POLB
SCHEMBL17967731 0.86 JAK1 (0.38) PIK3CADDR1POLB
SCHEMBL20042457 0.85 MAPK1 (0.35) MAPK1ABL1DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339155-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2022-05-24 — — US disclosed
EP-3523299-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2021-04-14 — — EP disclosed
US-20200048246-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 — — US disclosed
WO-2018065292-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-12 — — 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 (2 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-20200048246-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES EPHX2, CYP8B1, CYP1B1 MAPK1 2882/4885PIK3CD 1996/4885PIK3CA 1365/4885
US-11339155-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides EPHX2, CYP8B1, CYP1B1 MAPK1 2882/4885PIK3CD 1996/4885PIK3CA 1365/4885

“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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