SCHEMBL21948582

SCHEMBL21948582

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2c(NC(=O)C3CC3)csc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.34
▸ CHKA P35790 1/20 0.33
▸ DYRK1A Q13627 4/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ CLK1 P49759 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CTPS1 P17812 2/20 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
SCHEMBL29581586 0.90 RORC (0.33) RORC
SCHEMBL20547446 0.90 RORC (0.33) RORC
SCHEMBL21875176 0.88 RORC (0.33) RORC
SCHEMBL29581884 0.88 RORC (0.33) RORC
SCHEMBL24361053 0.85 KCNH2 (0.30) RORC
SCHEMBL21948704 0.84 RORC (0.32) RORC
SCHEMBL29581433 0.83 KCNH2 (0.33) —
SCHEMBL20547491 0.83 KCNH2 (0.33) —
SCHEMBL21949317 0.83 KCNH2 (0.32) —
SCHEMBL21875181 0.83 RORC (0.32) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615540-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-04-27 — — EP disclosed
US-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-30 — — 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 (1 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-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, BCHE RORC 3617/4885CHKA 1558/4885DYRK1A 3531/4885

“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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