SCHEMBL21730097

SCHEMBL21730097

Cc1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ PDE2A O00408 4/20 0.33
▸ PDE10A Q9Y233 3/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ ADRB2 P07550 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ MAPT P10636 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
SCHEMBL25670688 0.87 CDK9 (0.34) CDK9DYRK1AKDM4ELMNAALDH1A1
SCHEMBL19974041 0.81 KDM4E (0.31) KDM4ELMNA
SCHEMBL18506141 0.79 CYP3A4 (0.34) TSHRCYP3A4
SCHEMBL25670673 0.79 POLB (0.30) —
SCHEMBL20936230 0.76 CDK9 (0.40) CDK9DYRK1AKDM4ELMNAALDH1A1
SCHEMBL17466028 0.74 HSD11B1 (0.38) PDE2APDE10AADRB2HSD11B1MAPT
SCHEMBL18498619 0.73 CYP11B1 (0.39) PDE2APDE10AHSD11B1
SCHEMBL31141506 0.73 CYP11B1 (0.39) PDE2APDE10AHSD11B1
SCHEMBL31141505 0.73 CYP11B1 (0.39) PDE2APDE10AHSD11B1
SCHEMBL16064958 0.73 HSD11B1 (0.50) PDE2APDE10AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167122-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-06-01 — — US disclosed
WO-2022253841-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-12-08 — — WO disclosed
WO-2021219810-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2021-11-04 — — WO disclosed
EP-3896065-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2021-10-20 — — EP disclosed
US-11058115-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-07-13 — — US disclosed
US-20200054017-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-20 — — 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 (3 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-11058115-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 CDK9 3603/4885DYRK1A 3968/4885KDM4E 2375/4885
US-20200054017-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 CDK9 3603/4885DYRK1A 3968/4885KDM4E 2375/4885
US-20230167122-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, AADAC, ACAA2 CDK9 4169/4885DYRK1A 3169/4885KDM4E 1923/4885

“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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