SCHEMBL2186389

SCHEMBL2186389

FC(F)(F)c1c[c]nc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CES2 O00748 1/20 0.32
CA2 P00918 1/20 0.30
CHKA P35790 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
SCHEMBL3290373 0.85 GABRA2 (0.35) NOS3NOS2
SCHEMBL3296352 0.85 KIF11 (0.31)
SCHEMBL16242312 0.77 KDM4E (0.33) CA2CHKA
SCHEMBL20526106 0.77 NOS3 (0.33) NOS3NOS2
SCHEMBL25398144 0.76 CA2 (0.38) NOS3NOS2CA2CHKA
SCHEMBL28916752 0.76 NT5E (0.33)
SCHEMBL20526150 0.76 NOS3 (0.32) NOS3NOS2
SCHEMBL1787069 0.76 PLAU (0.33) NOS3NOS2
SCHEMBL1515052 0.76 NOS3 (0.32) NOS3NOS2
SCHEMBL895697 0.72 CA2 (0.36) NOS3NOS2CES2CA2CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US claimed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP claimed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO claimed
EP-4299332-A1 ON-PRESS-DEVELOPMENT-TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR FABRICATING PLANOGRAPHIC PRINTING PLATE, PLANOGRAPHIC PRINTING METHOD, AND COLORING AGENT FUJIFILM Corporation (JP) 2024-01-03 EP disclosed
US-20230393468-A1 ON-PRESS DEVELOPMENT TYPE LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE, LITHOGRAPHIC PRINTING METHOD, AND COLORING AGENT FUJIFILM CORPORATION (JP) 2023-12-07 US disclosed
CN-116829366-A On-press development type lithographic printing plate precursor, method for producing lithographic printing plate, lithographic printing method, and color former 富士胶片株式会社 2023-09-29 CN disclosed
CN-108368064-B 1,2, 3-triazole derivative and insecticide and acaricide comprising the same as active ingredient 北兴化学工业株式会社 2022-04-26 CN disclosed
US-20210387968-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2021-12-16 US disclosed
EP-3917627-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2021-12-08 EP disclosed
EP-3917919-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2021-12-08 EP disclosed
US-11046659-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-06-29 US disclosed
US-6303543-B1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-10-16 US disclosed
US-6211190-B1 Pyrimidine derivatives, process and intermediate products for their preparation and pesticides or fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
US-6200997-B1 CYCLIZATION TO GIVE OXAZOLIDINEDIONES AND TRIAZOLIDINEDIONES BASF AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
US-6121201-A HETEROARYL SUBSTITUTED HALO-PYRAZOLE SUBSTITUTED DIARYL ETHERS OR THIOETHERS ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-09-19 US disclosed
EP-0576251-B1 Substituted 1,2,4-triazine-3,5-dione derivatives and drug compositions containing them, particularly for coccidiosis treatment SUNTORY LTD (JP) 1999-11-24 EP disclosed
US-5438059-A Derivatives of propenoic acid; stereoisomers; applying to plants ZENECA LIMITED (GB) 1995-08-01 US disclosed
US-5424310-A Substituted 1,2,4-triazine-3,5-dione derivative and anticoccidial drug composition containing the same as active component SUNTORY LIMITED (JP) 1995-06-13 US disclosed
EP-0576251-A1 Substituted 1,2,4-triazine-3,5-dione derivatives and drug compositions containing them, particularly for coccidiosis treatment SUNTORY LIMITED (JP) 1993-12-29 EP disclosed
US-5021581-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 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 (3 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-20210387968-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLH, POLB NOS3 3849/4885NOS2 3821/4885CES2 2220/4885
US-11046659-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient AADAC, CYP51A1, NAT1 NOS3 314/4885NOS2 943/4885CES2 191/4885
US-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 NOS3 4600/4885NOS2 4704/4885CES2 2255/4885

“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.