SCHEMBL519841

SCHEMBL519841

Nc1cc2c(cc1F)OC(F)(F)O2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GPR3 P46089 1/20 0.34
KIF11 P52732 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
STIM1 Q13586 1/20 0.31
ORAI1 Q96D31 1/20 0.31
NOTUM Q6P988 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL519393 0.86 ALDH1A1 (0.34) ALDH1A1KIF11CYP1A2CYP2C9CYP2C19
SCHEMBL939408 0.85 GPR3 (0.38) GPR3KIF11CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL15552623 0.83 GPR3 (0.37) GPR3KIF11CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL1966185 0.83 GPR3 (0.37) GPR3KIF11CYP1A2CYP2C9CYP2C19
SCHEMBL17244773 0.77 STIM1 (0.39) ALDH1A1GPR3KIF11CTNNB1WNT3A
SCHEMBL755256 0.77 GAA (0.48) ALDH1A1GPR3KIF11CYP1A2CYP2C9
SCHEMBL30177616 0.76 MEN1 (0.38) ALDH1A1GPR3KIF11CYP1A2CYP2C9
SCHEMBL1859168 0.76 GPR3 (0.33) GPR3KIF11CYP1A2CYP2C9CYP2C19
SCHEMBL16076086 0.76 TSHR (0.42) ALDH1A1GPR3KIF11CYP1A2CYP2C9
SCHEMBL3342338 0.76 MEN1 (0.38) ALDH1A1GPR3KIF11CYP1A2CYP2C9

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
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
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 US disclosed
CN-106795117-B Heterobicyclic compounds and their use for the treatment of tuberculosis 大塚制药株式会社 2020-06-26 CN 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
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
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-11-05 US disclosed
EP-3186240-B1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2019-06-12 EP disclosed
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-01 US disclosed
US-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-21 US disclosed
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-09-07 US disclosed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
EP-2393360-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-12-14 EP disclosed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 WO disclosed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 WO disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 US disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
EP-0382034-A1 N-aryl-nitrogenated heterocycles BAYER AG (DE) 1990-08-16 EP disclosed
EP-0300307-A2 N-aryl-nitrogen heterocycles BAYER AG (DE) 1989-01-25 EP 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 (8 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-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD ALDH1A1 1458/4885GPR3 4588/4885KIF11 4606/4885
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT ALDH1A1 123/4885GPR3 1953/4885KIF11 3021/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD ALDH1A1 1458/4885GPR3 4588/4885KIF11 4606/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ALDH1A1 1458/4885GPR3 4588/4885KIF11 4606/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ALDH1A1 1458/4885GPR3 4588/4885KIF11 4606/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B ALDH1A1 350/4885GPR3 1106/4885KIF11 2363/4885
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 ALDH1A1 611/4885GPR3 916/4885KIF11 3982/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B ALDH1A1 334/4885GPR3 1069/4885KIF11 2347/4885

“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.