SCHEMBL10354550

SCHEMBL10354550

FC(F)(Cl)c1ccc(Cl)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.44
KCNQ2 O43526 4/20 0.44
KCNQ1 P51787 4/20 0.44
KCNE1 P15382 3/20 0.44
GRM4 Q14833 1/20 0.41
PIK3CD O00329 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
TRPA1 O75762 1/20 0.37
SCN5A Q14524 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
POLB P06746 1/20 0.36
CYP19A1 P11511 2/20 0.36
BACE1 P56817 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10507506 0.86 KCNQ3 (0.44) KCNQ3KCNQ2KCNQ1KCNE1GRM4
SCHEMBL41029 0.84 KCNQ3 (0.53) KCNQ3KCNQ2KCNQ1KCNE1GRM4
SCHEMBL29364836 0.84 KCNQ3 (0.53) KCNQ3KCNQ2KCNQ1KCNE1GRM4
SCHEMBL10951721 0.83 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ1KCNE1GRM4
SCHEMBL4985623 0.81 TSHR (0.41) KCNQ3KCNQ2KCNQ1KCNE1GRM4
SCHEMBL31500776 0.81 TSHR (0.41) KCNQ3KCNQ2KCNQ1KCNE1GRM4
SCHEMBL14676854 0.80 KCNQ3 (0.42) KCNQ3KCNQ2KCNQ1KCNE1GRM4
SCHEMBL21994672 0.80 KCNQ3 (0.42) KCNQ3KCNQ2KCNQ1KCNE1GRM4
SCHEMBL9966941 0.80 KCNQ3 (0.42) KCNQ3KCNQ2KCNQ1KCNE1GRM4
SCHEMBL17948247 0.80 KCNQ3 (0.42) KCNQ3KCNQ2KCNQ1KCNE1GRM4

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4284783-A Liquid phase preparation of 2-chloro-5-trifluoromethylpyridine and 2-chloro-5-perchlorofluoromethylpyridine IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-08-18 US claimed
US-4257857-A Liquid phase preparation of 2-chloro-5-trifluoromethylpyridine and 2-chloro-5-perchlorofluoromethylpyridine IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-03-24 US claimed
CN-107889486-B Pyridin-2-ylpyridin/compounds and methods of use thereof 日本曹达株式会社 2021-07-09 CN disclosed
US-10618882-B2 Pyridine-2-yl pyridinium compound and method of using same NIPPON SODA CO., LTD. (JP) 2020-04-14 US disclosed
EP-3330253-B1 PYRIDINE-2-YL-PYRIDINIUM COMPOUND AND METHOD OF USING SAME NIPPON SODA CO (JP) 2019-09-25 EP disclosed
EP-3330253-A1 PYRIDINE-2-YL-PYRIDINIUM COMPOUND AND METHOD OF USING SAME Nippon Soda Co., Ltd. (JP) 2018-06-06 EP disclosed
WO-2017018409-A1 PYRIDINE-2-YL-PYRIDINIUM COMPOUND AND METHOD OF USING SAME 日本曹達株式会社 2017-02-02 WO disclosed
EP-0110690-B1 PREPARATION OF (TRIFLUOROMETHYL)PYRIDINES THE DOW CHEMICAL COMPANY (US) 1990-09-26 EP disclosed
US-4925947-A AGRICULTURAL USE, SENSITIVE TO CROPS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US disclosed
EP-0001473-B1 HERBICIDAL HALOGENOMETHYL--PYRIDYLOXY-PHENOXY-ALKANECARBOXYLIC ACIDS AND DERIVATIVES, AND PROCESSES OF CONTROLLING UNWANTED PLANTS THEREWITH IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-27 EP disclosed
EP-0107866-B1 TRIHALOMETHYLPYRIDINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-30 EP disclosed
EP-0014033-A2 Halogenation of pyridine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-08-06 EP disclosed
EP-0013474-A2 Preparation of 2-chloro-5-trifluoromethylpyridine IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-07-23 EP disclosed
WO-1979000786-A1 HERBICIDAL COMPOUNDS ICI LTD (GB) 1979-10-18 WO disclosed
EP-0004433-A1 Herbicidal 2-(p-substituted-phenoxy)-pyridines and process for preparing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-10-03 EP disclosed
WO-1979000624-A1 HERBICIDAL DERIVATIVES OF 2-(4(2-PYRIDYLOXY)PHENOXY)PROPANE,PROCESSES FOR PREPARING THEM,AND HERBICIDAL COMPOSITIONS CONTAINING THEM ICI LTD (GB) 1979-09-06 WO disclosed
EP-0003877-A1 Herbicidal derivatives of 2-(4(2-pyridyloxy)phenoxy)propane, processes for preparing them, and herbicidal compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-09-05 EP disclosed
EP-0003648-A2 4-Aryloxy-substituted phenoxypropionamide derivatives useful as herbicides, compositions containing them, and processes for making them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-22 EP disclosed
EP-0001473-A2 Herbicidal halogenomethyl--pyridyloxy-phenoxy-alkanecarboxylic acids and derivatives, and processes of controlling unwanted plants therewith IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-04-18 EP disclosed
WO-1979000094-A1 HERBICIDAL PYRIDINE COMPOUNDS ICI LTD (GB) 1979-03-08 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 (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-10618882-B2 Pyridine-2-yl pyridinium compound and method of using same PNPO, PDXK, ABCB7 KCNQ3 428/4885KCNQ2 182/4885KCNQ1 295/4885

“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.