SCHEMBL20393612

SCHEMBL20393612

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(-c2ccc(C#N)cc2)n1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.44
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ SDHB P21912 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CYP11B2 P19099 2/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ PRKDC P78527 2/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ ELANE P08246 2/20 0.34
▸ PTGER4 P35408 1/20 0.33

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
SCHEMBL20393613 0.90 CYP1A2 (0.40) S1PR1SDHB
SCHEMBL20393875 0.89 CA1 (0.36) S1PR1CA1CA2CA12CA9
SCHEMBL20393879 0.88 MTOR (0.37) S1PR1CA1CA2CA12CA9
SCHEMBL21715819 0.88 CA1 (0.39) CA1CA2CA12CA9KCNH2
SCHEMBL20393710 0.88 PTGS2 (0.42) CA1CA2CA12CA9KCNH2
SCHEMBL20393751 0.88 AR (0.39) S1PR1CA1CA2CA12CA9
SCHEMBL20393708 0.88 PTGS2 (0.40) S1PR1CA1CA2CA12CA9
SCHEMBL20393834 0.87 PTGS2 (0.35) S1PR1CA1CA2CA12CA9
SCHEMBL20393750 0.87 PTGS2 (0.35) S1PR1CA1CA2CA12CA9
SCHEMBL21715691 0.87 CA1 (0.39) CA1CA2CA12CA9JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11083199-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-08-10 — — US disclosed
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 — — US disclosed
WO-2018130443-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2018-07-19 — — 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-11083199-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 S1PR1 2092/4885CA1 1147/4885CA2 1444/4885
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 S1PR1 2092/4885CA1 1147/4885CA2 1444/4885

“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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