SCHEMBL8952145

SCHEMBL8952145

C[Si](C)(C)c1cccc2c1OC(F)(F)O2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.34
ADORA2A P29274 4/20 0.34
BACE1 P56817 2/20 0.32
ATR Q13535 1/20 0.32
ALOX15 P16050 1/20 0.31
GPR3 P46089 1/20 0.31
IDO1 P14902 2/20 0.31
PTPN11 Q06124 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
HTR1A P08908 2/20 0.30
DRD2 P14416 2/20 0.30
HTR2A P28223 2/20 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
SCHEMBL423294 0.76 ADORA2A (0.35) MPOADORA2ABACE1ALOX15GPR3
SCHEMBL30677836 0.74 FFAR4 (0.37) MPOADORA2ABACE1ATRALOX15
SCHEMBL8951981 0.72 MPO (0.33) MPOADORA2AATRGPR3FFAR4
SCHEMBL5325701 0.72 MPO (0.33) MPOADORA2AATRGPR3FFAR4
SCHEMBL334653 0.72 MPO (0.39) MPOADORA2ABACE1ATRALOX15
SCHEMBL3151886 0.72 FFAR4 (0.34) MPOADORA2AATRALOX15GPR3
SCHEMBL13551133 0.72 MPO (0.33) MPOADORA2AATRALOX15GPR3
SCHEMBL978248 0.72 MPO (0.33) MPOADORA2AATRGPR3FFAR4
SCHEMBL6264335 0.72 AHR (0.45) MPOGPR3IDO1FFAR4HTR1A
SCHEMBL29437972 0.72 FFAR4 (0.34) MPOADORA2AATRALOX15GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970185-B1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2023-07-12 EP disclosed
EP-3640249-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2020-04-22 EP disclosed
CN-110583663-A Compounds of formula (I) and their use as herbicides 美国陶氏益农公司 2019-12-20 CN disclosed
US-9149038-B2 4-amino-6-(heterocyclic)picolinates and 6-amino-2-(heterocyclic)pyrimidine-4-carboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2015-10-06 US disclosed
US-20140274701-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-5514816-A REACTION OF DIFLUOROBENZO-1,3-DIOXOLE WITH METAL COMPOUNDS FOR INSECTICIDES CIBA-GEIGY CORPORATION (US) 1996-05-07 US disclosed
US-5496848-A Process for the preparation of substituted difluorobenzo-1,3-dioxoles CIBA-GEIGY CORPORATION (US) 1996-03-05 US disclosed
US-5493032-A INSECTICIDES, MICROBIOCIDES CIBA-GEIGY CORPORATION (US) 1996-02-20 US disclosed
EP-0333658-B1 Process for the preparation of substituted difluorbenzo-1,3-dioxoles CIBA GEIGY AG (CH) 1995-07-26 EP disclosed
US-5420301-A Process for the preparation of substituted difluorobenzo-1,3-dioxoles CIBA-GEIGY CORPORATION (US) 1995-05-30 US disclosed
US-5281718-A Reacting in one pot reaction 2,2-difluorobenzodioxole with an organometal compound or metal to form 4-metallo-2,2-difluorobenzodioxole, reacting with unsaturated nitrile, then with isocyanide CIBA-GEIGY CORPORATION (US) 1994-01-25 US disclosed
US-5194628-A Reacting metallo-difluorobenzodioxole with unsaturated nitrile and then with sulfonylmethyl isocyanide CIBA-GEIGY CORPORATION (US) 1993-03-16 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-20140274701-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DDT, ABAT, PAH MPO 3602/4885ADORA2A 383/4885BACE1 4259/4885

“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.