SCHEMBL21434629

SCHEMBL21434629

CCS(=O)(=O)c1cc(C2(C#N)CC2)cnc1-c1nc2ccc(C(F)(F)F)nc2n1C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ IDH1 O75874 2/20 0.32
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ PDE2A O00408 4/20 0.32
▸ PDE10A Q9Y233 4/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ DDR1 Q08345 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ PIK3C2A O00443 1/20 0.30
▸ PIK3C2B O00750 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 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
SCHEMBL21434183 0.88 DRD2 (0.32) ALDH1A1DRD2DRD3CYP1A2
SCHEMBL31686852 0.88 DRD2 (0.32) ALDH1A1DRD2DRD3CYP1A2
SCHEMBL29904936 0.85 POLB (0.39) ALDH1A1KCNH2TRPM8DDR1
SCHEMBL17844096 0.85 POLB (0.39) ALDH1A1KCNH2TRPM8DDR1
SCHEMBL17529566 0.85 S1PR1 (0.32) PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL17609373 0.83 POLB (0.37) ALDH1A1KCNH2TRPM8DDR1
SCHEMBL23120240 0.82 — —
SCHEMBL29748688 0.82 — —
SCHEMBL17858042 0.82 POLB (0.38) ALDH1A1TRPM8DDR1
SCHEMBL23120278 0.82 LMNA (0.38) KCNH2

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
US-11072608-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-07-27 — — US disclosed
US-20190308971-A1 PESTICIDALLY ACTIVE HETROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-10 — — 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 (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-11072608-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents DDT, ACHE, GSTM1 ALDH1A1 242/4885KCNH2 1533/4885IDH1 169/4885
US-20190308971-A1 PESTICIDALLY ACTIVE HETROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, GSTO1, GSTM1 ALDH1A1 490/4885KCNH2 1989/4885IDH1 826/4885

“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