SCHEMBL29904273

SCHEMBL29904273

CCS(=O)(=O)c1cc(C(C)(C)C#N)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.35
▸ MTOR P42345 5/20 0.35
▸ PIK3CD O00329 4/20 0.35
▸ PIK3CG P48736 4/20 0.35
▸ S1PR1 P21453 2/20 0.35
▸ RORC P51449 2/20 0.33
▸ PIK3CB P42338 3/20 0.33
▸ DDR1 Q08345 2/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ PIK3C2A O00443 1/20 0.32
▸ PIK3C2B O00750 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ MET P08581 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ LTK P29376 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ NEK2 P51955 1/20 0.32

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
SCHEMBL24313895 1.00 PIK3CA (0.35) PIK3CAMTORPIK3CDPIK3CGS1PR1
SCHEMBL17494853 0.90 DDR1 (0.38) S1PR1RORCDDR1CNR2AGPAT2
SCHEMBL29904281 0.86 S1PR1 (0.34) PIK3CAMTORPIK3CDPIK3CGS1PR1
SCHEMBL24314118 0.86 S1PR1 (0.34) PIK3CAMTORPIK3CDPIK3CGS1PR1
SCHEMBL17514100 0.85 USP1 (0.35) S1PR1RORCCNR2AGPAT2CA12
SCHEMBL29482595 0.85 PDE2A (0.33) RORCDDR1ALDH1A1BRS3
SCHEMBL17432166 0.85 RORC (0.37) RORCDDR1JAK3CA12CA1
SCHEMBL24314472 0.85 PDE2A (0.33) RORCDDR1ALDH1A1BRS3
SCHEMBL20547579 0.85 CNR2 (0.34) S1PR1DDR1CNR2CA12CA1
SCHEMBL20547541 0.84 CNR2 (0.34) S1PR1RORCDDR1JAK3CNR2

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-11440910-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2022-09-13 — — 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-11440910-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents DDT, ACHE, SQOR PIK3CA 4427/4885MTOR 1503/4885PIK3CD 3529/4885

“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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