SCHEMBL20042459

SCHEMBL20042459

CCS(=O)(=O)c1cc(C)c(NC(=O)N2CCCC2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GLA P06280 2/20 0.36
▸ RORC P51449 3/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ KDM4E B2RXH2 4/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KLK7 P49862 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ QRFPR Q96P65 1/20 0.31

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
SCHEMBL20042498 0.87 SMN1; SMN2 (0.38) SMN1; SMN2GLARORCCNR2TP53
SCHEMBL20042458 0.86 LRRK2 (0.33) RORC
SCHEMBL20633516 0.78 LRRK2 (0.39) RORCCNR2
SCHEMBL30958240 0.77 RORC (0.37) RORCTHRBALDH1A1KMT2A
SCHEMBL22683334 0.77 RORC (0.37) RORCTHRBALDH1A1KMT2A
SCHEMBL17832757 0.76 KCNH2 (0.34) RORCCNR2PIK3CA
SCHEMBL22683342 0.76 RORC (0.38) SMN1; SMN2RORCKDM4ERAB9ANPC1
SCHEMBL22683346 0.76 RORC (0.36) SMN1; SMN2RORCCNR2GAA
SCHEMBL17967731 0.76 JAK1 (0.38) RORCPIK3CA
SCHEMBL31091086 0.76 RORC (0.38) SMN1; SMN2RORCKDM4ERAB9ANPC1

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 SMN1; SMN2 2890/4885GLA 3696/4885RORC 2454/4885
US-11339155-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides EPHX2, CYP8B1, CYP1B1 SMN1; SMN2 2890/4885GLA 3696/4885RORC 2454/4885

“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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