SCHEMBL16716787

SCHEMBL16716787

COc1nc(-c2cnn(C)c(=O)c2OC)ccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
LRRK2 Q5S007 7/20 0.35
AURKA O14965 1/20 0.34
KDR P35968 1/20 0.34
AURKB Q96GD4 1/20 0.34
AR P10275 1/20 0.33
TRPA1 O75762 1/20 0.33
TTK P33981 1/20 0.33
HSD11B1 P28845 1/20 0.33
NPBWR1 P48145 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CYP11B2 P19099 1/20 0.31
PDE10A Q9Y233 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL16716785 0.80 ALDH1A1 (0.37) ALDH1A1HPGDLRRK2ARTRPA1
SCHEMBL16716777 0.79 ALDH1A1 (0.41) ALDH1A1HPGDNPBWR1
SCHEMBL14844550 0.78 ALDH1A1 (0.36) ALDH1A1HPGDLRRK2TRPA1
SCHEMBL16716788 0.77 ALDH1A1 (0.35) ALDH1A1HPGDLRRK2ARTRPA1
SCHEMBL14844488 0.72 RAB9A (0.39) ALDH1A1HPGDLRRK2NPBWR1CYP11B2
SCHEMBL14844412 0.72 ALDH1A1 (0.35) ALDH1A1HPGDLRRK2PDE10A
SCHEMBL16719163 0.71 NPBWR1 (0.40) ALDH1A1AURKAKDRAURKBNPBWR1
SCHEMBL23152444 0.70 LRRK2 (0.34) ALDH1A1HPGDLRRK2
SCHEMBL29464822 0.70 LRRK2 (0.34) ALDH1A1HPGDLRRK2
SCHEMBL14844564 0.70 ALDH1A1 (0.39) ALDH1A1HPGDNPBWR1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068773-B1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2017-07-05 EP disclosed
US-20160272613-A1 Pyridazinone Derivatives and their use as Herbicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-09-22 US disclosed
EP-3068773-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS HERBICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-09-21 EP disclosed
WO-2015071205-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2015-05-21 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-20160272613-A1 Pyridazinone Derivatives and their use as Herbicides PDXK, CBR3, DDT ALDH1A1 240/4885HPGD 301/4885LRRK2 4214/4885

“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.