SCHEMBL20042461

SCHEMBL20042461

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ DDR1 Q08345 2/20 0.33
▸ QRFPR Q96P65 1/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ RORC P51449 3/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ USP1 O94782 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
SCHEMBL21715828 0.92 DDR1 (0.33) GRIN1GRIN2BDDR1QRFPRCNR2
SCHEMBL20042495 0.90 RORC (0.36) GRIN1GRIN2BDDR1QRFPRCNR2
SCHEMBL31534723 0.87 NPC1 (0.34) GRIN1GRIN2BDDR1QRFPRCNR2
SCHEMBL18013268 0.87 NPC1 (0.34) GRIN1GRIN2BDDR1QRFPRCNR2
SCHEMBL21999928 0.85 DDR1 (0.32) DDR1
SCHEMBL20042497 0.84 DDR1 (0.34) GRIN1GRIN2BDDR1QRFPRCNR2
SCHEMBL17967743 0.83 DHODH (0.35) DDR1QRFPRCNR2RORCNPC1
SCHEMBL31534712 0.83 DHODH (0.35) DDR1QRFPRCNR2RORCNPC1
SCHEMBL17967726 0.83 CNR2 (0.35) DDR1CNR2RORCNPC1RAB9A
SCHEMBL18013264 0.83 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 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 GRIN1 1470/4885GRIN2B 1786/4885DDR1 2668/4885
US-11339155-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides EPHX2, CYP8B1, CYP1B1 GRIN1 1470/4885GRIN2B 1786/4885DDR1 2668/4885

“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.

Send feedback