SCHEMBL14844584

SCHEMBL14844584

COc1c(-c2cnc(C(F)(F)F)nc2Cl)cnn(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
LRRK2 Q5S007 2/20 0.33
PDE10A Q9Y233 1/20 0.32
NPBWR1 P48145 3/20 0.32
KAT2B Q92831 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
MCHR1 Q99705 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL14844997 0.74 ALDH1A1 (0.33) ALDH1A1HPGDLRRK2
SCHEMBL14844550 0.72 ALDH1A1 (0.36) ALDH1A1HPGDLRRK2BRD9
SCHEMBL14844488 0.71 RAB9A (0.39) ALDH1A1HPGDLRRK2NPBWR1MCHR1
SCHEMBL14844412 0.71 ALDH1A1 (0.35) ALDH1A1HPGDLRRK2PDE10A
SCHEMBL16716777 0.70 ALDH1A1 (0.41) ALDH1A1HPGDNPBWR1
SCHEMBL14845056 0.70 LRRK2 (0.35) ALDH1A1HPGDLRRK2
SCHEMBL16716787 0.69 ALDH1A1 (0.36) ALDH1A1HPGDLRRK2PDE10ANPBWR1
SCHEMBL14844549 0.69 ALDH1A1 (0.56) ALDH1A1HPGDNPBWR1KAT2BBRD9
SCHEMBL16716785 0.68 ALDH1A1 (0.37) ALDH1A1HPGDLRRK2NPBWR1MCHR1
SCHEMBL14844564 0.67 ALDH1A1 (0.39) ALDH1A1HPGDNPBWR1MCHR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
EP-2763968-B1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LTD (GB) 2016-02-24 EP disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 US disclosed
EP-2763968-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES Syngenta Limited (GB) 2014-08-13 EP disclosed
WO-2013050421-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2013-04-11 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-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 ALDH1A1 861/4885HPGD 3113/4885LRRK2 2788/4885

“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.