SCHEMBL21715828

SCHEMBL21715828

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 4/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ QRFPR Q96P65 1/20 0.33
▸ RORC P51449 4/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ DHODH Q02127 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
SCHEMBL20042461 0.92 GRIN1 (0.33) DDR1CNR2QRFPRRORCGRIN1
SCHEMBL20042495 0.90 RORC (0.36) DDR1CNR2QRFPRRORCGRIN1
SCHEMBL31534723 0.88 NPC1 (0.34) DDR1CNR2QRFPRRORCGRIN1
SCHEMBL18013268 0.88 NPC1 (0.34) DDR1CNR2QRFPRRORCGRIN1
SCHEMBL31091090 0.87 CNR2 (0.33) DDR1CNR2QRFPRRORC
SCHEMBL22683347 0.87 CNR2 (0.33) DDR1CNR2QRFPRRORC
SCHEMBL31534712 0.84 DHODH (0.35) DDR1CNR2QRFPRRORCNPC1
SCHEMBL17967743 0.84 DHODH (0.35) DDR1CNR2QRFPRRORCNPC1
SCHEMBL18013264 0.84 CNR2 (0.35) DDR1CNR2RORCNPC1RAB9A
SCHEMBL17967726 0.84 CNR2 (0.35) DDR1CNR2RORCNPC1RAB9A

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 3 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
US-20210047291-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 — — US disclosed
US-20200048246-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 — — 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 (3 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 DDR1 2668/4885CNR2 119/4885QRFPR 488/4885
US-20210047291-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, AADAC, ACAA2 DDR1 4441/4885CNR2 1438/4885QRFPR 2442/4885
US-11339155-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides EPHX2, CYP8B1, CYP1B1 DDR1 2668/4885CNR2 119/4885QRFPR 488/4885

“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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