SCHEMBL20042460

SCHEMBL20042460

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MAPK1 P28482 5/20 0.33
▸ DDR1 Q08345 4/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ MAPK8 P45983 2/20 0.33
▸ MAPK9 P45984 2/20 0.33
▸ MAPK10 P53779 2/20 0.33
▸ RORC P51449 4/20 0.32
▸ SCN7A Q01118 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.32
▸ SYK P43405 1/20 0.31
▸ NTRK1 P04629 1/20 0.30
▸ YES1 P07947 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30

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 0.91 PIK3CA (0.40) MAPK1DDR1PIK3CAMAPK8MAPK9
SCHEMBL20042476 0.90 MAPK1 (0.40) CYP1A2CYP2C19RAB9AMAPK1DDR1
SCHEMBL20042456 0.90 CYP1A2 (0.33) CYP1A2CYP2C19RAB9AMAPK1DDR1
SCHEMBL20042474 0.89 CYP1A2 (0.33) CYP1A2CYP2C19RAB9AMAPK1DDR1
SCHEMBL20042475 0.89 RORC (0.34) CYP1A2CYP2C19RAB9AMAPK1DDR1
SCHEMBL20042377 0.88 RORC (0.34) MAPK1DDR1PIK3CAMAPK8MAPK9
SCHEMBL30051769 0.88 RORC (0.34) MAPK1DDR1PIK3CAMAPK8MAPK9
SCHEMBL31534713 0.87 JAK1 (0.38) DDR1PIK3CARORC
SCHEMBL17967731 0.87 JAK1 (0.38) DDR1PIK3CARORC
SCHEMBL20042457 0.86 MAPK1 (0.35) MAPK1DDR1RORC

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 CYP1A2 5/4885CYP2C19 126/4885RAB9A 467/4885
US-11339155-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides EPHX2, CYP8B1, CYP1B1 CYP1A2 5/4885CYP2C19 126/4885RAB9A 467/4885

“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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