SCHEMBL22366804

SCHEMBL22366804

COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2Cl)cc(F)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MRGPRX4 Q96LA9 3/20 0.42
▸ CFTR P13569 1/20 0.41
▸ AGPAT2 O15120 2/20 0.40
▸ ALPL P05186 2/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ EIF4E P06730 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ CTSA P10619 1/20 0.37
▸ TLR2 O60603 1/20 0.37
▸ TLR1 Q15399 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL30185273 1.00 NPSR1 (0.43) NPSR1MRGPRX4CFTRAGPAT2ALPL
SCHEMBL22366902 0.92 NPSR1 (0.44) NPSR1MRGPRX4CFTRAGPAT2ALPL
SCHEMBL30185297 0.92 NPSR1 (0.44) NPSR1MRGPRX4CFTRAGPAT2ALPL
SCHEMBL24985506 0.91 MRGPRX4 (0.43) NPSR1MRGPRX4CFTRAGPAT2ALPL
SCHEMBL22366965 0.89 NPSR1 (0.42) NPSR1MRGPRX4CFTRAGPAT2ALPL
SCHEMBL30185109 0.89 NPSR1 (0.42) NPSR1MRGPRX4CFTRAGPAT2ALPL
SCHEMBL22366864 0.88 NPSR1 (0.42) NPSR1MRGPRX4CFTRAGPAT2ALPL
SCHEMBL3327037 0.88 CFTR (0.48) NPSR1MRGPRX4CFTRAGPAT2ALPL
SCHEMBL30185103 0.88 NPSR1 (0.42) NPSR1MRGPRX4CFTRAGPAT2ALPL
SCHEMBL22366843 0.88 NPSR1 (0.43) NPSR1MRGPRX4CFTRAGPAT2ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US disclosed
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US disclosed
EP-3700340-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF Dow Agrosciences LLC (US) 2020-09-02 — — EP disclosed
CN-111278283-A Pyridine and pyrimidine formate herbicides and methods of use thereof 美国陶氏益农公司 2020-06-12 — — CN 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT NPSR1 2945/4885MRGPRX4 1870/4885CFTR 4476/4885

“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