SCHEMBL24576375

SCHEMBL24576375

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)ncc2cc(C3(C#N)CC3)ccc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3C2A O00443 1/20 0.33
▸ PIK3C2B O00750 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL24576536 0.94 PIK3C2A (0.32) PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL24576630 0.89 TRPM8 (0.33) PIK3C2APIK3C2BPIK3CAMTORTRPM8
SCHEMBL24576368 0.88 CYP1A2 (0.32) TRPM8CYP1A2ALDH1A1
SCHEMBL24576373 0.85 MEN1 (0.34) PIK3C2APIK3C2BPIK3CAMTORTRPM8
SCHEMBL31659089 0.84 POLB (0.36) PIK3C2APIK3C2BPIK3CAMTORTRPM8
SCHEMBL24576621 0.84 POLB (0.36) PIK3C2APIK3C2BPIK3CAMTORTRPM8
SCHEMBL24576533 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL24576635 0.83 PIK3C2A (0.31) PIK3C2APIK3C2BPIK3CAMTORCYP1A2
SCHEMBL17529566 0.83 S1PR1 (0.32) PIK3C2APIK3C2BPIK3CAMTORS1PR1
SCHEMBL20393862 0.83 PIK3C2A (0.37) PIK3C2APIK3C2BPIK3CAMTORTRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204499-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-06-30 — — 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-20220204499-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BCHE, C1R, C1S PIK3C2A 988/4885PIK3C2B 1537/4885PIK3CA 2282/4885

“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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