SCHEMBL17110552

SCHEMBL17110552

COc1cc(F)[c]c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.32
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
ACHE P22303 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
SCHEMBL21681466 0.78
SCHEMBL17110502 0.77 L3MBTL1 (0.34) TUBB1CYP3A4MAPTACHE
SCHEMBL17110488 0.77 CSNK2A1 (0.35)
SCHEMBL17110497 0.74 MAPT (0.40) MAPTPDE4D
SCHEMBL17110548 0.71 MCHR1 (0.32)
SCHEMBL6062219 0.71 TRPA1 (0.30)
SCHEMBL2233817 0.70 CYP3A4 (0.36) TUBB1CYP3A4MAPTACHE
SCHEMBL1068238 0.70 CA2 (0.37) TUBB1MAPTACHE
SCHEMBL20736608 0.69 TUBB1 (0.35) TUBB1CYP3A4MAPTACHE
SCHEMBL218123 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3129358-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-15 EP claimed
US-20170029383-A1 Diaminotriazine Derivatives as Herbicides BASF SE (DE) 2017-02-02 US claimed
CN-106164058-A Diaminourea pyrrolotriazine derivatives as herbicide 巴斯夫欧洲公司 2016-11-23 CN claimed
WO-2015155271-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-15 WO claimed
US-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-04-13 US disclosed
EP-3129358-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-15 EP disclosed
US-20170029383-A1 Diaminotriazine Derivatives as Herbicides BASF SE (DE) 2017-02-02 US disclosed
EP-3122736-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-01 EP disclosed
CN-106164058-A Diaminourea pyrrolotriazine derivatives as herbicide 巴斯夫欧洲公司 2016-11-23 CN disclosed
CN-106132946-A Diaminourea pyrrolotriazine derivatives as herbicide 巴斯夫欧洲公司 2016-11-16 CN disclosed
WO-2015155271-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-15 WO disclosed
WO-2015155129-A1 DIAMINOTRIAZINE COMPOUND BASF SE (DE) 2015-10-15 WO disclosed
WO-2015144881-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-01 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 (2 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-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES DRD3, CBR3, ATL3 TUBB1 1507/4885CYP3A4 2783/4885MAPT 4532/4885
US-20170029383-A1 Diaminotriazine Derivatives as Herbicides DDT, CBR3, HDHD5 TUBB1 1618/4885CYP3A4 2656/4885MAPT 4545/4885

“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.