SCHEMBL603330

SCHEMBL603330

Oc1ncnc(C(F)(F)F)c1Br

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32

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
SCHEMBL8175797 0.83
SCHEMBL8567643 0.75
SCHEMBL939267 0.74 ENPP3 (0.35) ENPP3ENPP1
SCHEMBL6715914 0.74
SCHEMBL6722883 0.74 COMT (0.32)
SCHEMBL16441562 0.74 COMT (0.32)
SCHEMBL20088858 0.74 CA2 (0.38)
SCHEMBL27304053 0.69
SCHEMBL3381848 0.69 PDPK1 (0.34) ENPP3ENPP1
SCHEMBL27031410 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059689-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS MEDIVIR AB (SE) 2024-02-22 US disclosed
EP-4308566-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS Tango Therapeutics, Inc. (US) 2024-01-24 EP disclosed
CN-117425656-A Purine derivatives as anticancer agents 探戈医药股份有限公司 2024-01-19 CN disclosed
WO-2022197892-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS TANGO THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
EP-2186410-B1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-05-07 EP disclosed
EP-2432780-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-7875606-B2 Herbicides; selectivity between crops and weeds IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US disclosed
CN-1673221-A Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 CN disclosed
US-20040259734-A1 Izoxazoline derivative and herbicide IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-23 US disclosed
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-06-10 US disclosed
US-20040092402-A1 Pyrimidine derivatives and herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-05-13 US disclosed
CN-1491217-A Isoxazoline derivatives and herbicides containing them as active ingredient ��Ԩ��ѧ��ҵ��ʽ���� 2004-04-21 CN disclosed
EP-1405853-A1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-04-07 EP disclosed
CN-1473155-A Pyrimidine derivatives and herbicides containing the same ס������ũҩ��ʽ���� 2004-02-04 CN disclosed
EP-1364946-A1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-11-26 EP disclosed
EP-1333029-A1 PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 EP disclosed
WO-2000063176-A2 DISUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES AND FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-10-26 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 (5 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-20240059689-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS RRM2, TYMP, PNP ENPP3 636/4885ENPP1 368/4885
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL TYMP, DPYD, TYMS ENPP3 402/4885ENPP1 147/4885
US-20040259734-A1 Izoxazoline derivative and herbicide HCN4, HDHD5, KCNJ1 ENPP3 2448/4885ENPP1 3604/4885
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient CYP4X1, PRDX5, CYP3A7 ENPP3 4307/4885ENPP1 4314/4885
US-20040092402-A1 Pyrimidine derivatives and herbicides containing the same DDX41, CBR3, DPYD ENPP3 2364/4885ENPP1 1675/4885

“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.