SCHEMBL677228

SCHEMBL677228

[Li]c1c(C(F)(F)F)cnc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
RPS6KA5 O75582 1/20 0.31
CYP1A2 P05177 1/20 0.31
LRRK2 Q5S007 1/20 0.31
ASPH Q12797 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
SCHEMBL7047809 0.80 PIK3CD (0.41) PIK3CDRPS6KA5CYP1A2LRRK2ASPH
SCHEMBL6739131 0.79 PIK3CD (0.45) PIK3CDRPS6KA5CYP1A2LRRK2ASPH
SCHEMBL30542040 0.77 PIK3CD (0.39) PIK3CDRPS6KA5ASPH
SCHEMBL6740290 0.75 PIK3CD (0.38) PIK3CDRPS6KA5CYP1A2LRRK2ASPH
SCHEMBL29137108 0.72 PIK3CD (0.36) PIK3CDRPS6KA5CYP1A2LRRK2
SCHEMBL31319309 0.68 PIK3CD (0.46) PIK3CDRPS6KA5ASPH
SCHEMBL31214152 0.68 PIK3CD (0.39) PIK3CDRPS6KA5CYP1A2LRRK2ASPH
SCHEMBL5942453 0.67 PDXK (0.42) PIK3CDASPH
SCHEMBL6740078 0.65 PIK3CD (0.37) PIK3CDRPS6KA5CYP1A2LRRK2ASPH
SCHEMBL3147045 0.65 PIK3CD (0.40) PIK3CDRPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA (JP) 2017-07-06 US disclosed
US-9655362-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2017-05-23 US disclosed
EP-1679003-B1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA (JP) 2015-04-15 EP disclosed
US-8653113-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-02-18 US disclosed
US-8653277-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-02-18 US disclosed
US-8609150-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-12-17 US disclosed
US-20120135088-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-05-31 US disclosed
US-20110280959-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-11-17 US disclosed
EP-2338335-A1 Preparation of fungicidal benzoylpyridine derivatives ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-06-29 EP disclosed
US-20090247763-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-10-01 US disclosed
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-08-31 US disclosed
EP-1679003-A1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-07-12 EP 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-20090247763-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CBR1, CNPY2 PIK3CD 1292/4885RPS6KA5 3109/4885CYP1A2 18/4885
US-20120135088-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH PIK3CD 1193/4885RPS6KA5 3600/4885CYP1A2 12/4885
US-20110280959-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH PIK3CD 1193/4885RPS6KA5 3600/4885CYP1A2 12/4885
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases CBR3, CNPY2, PAH PIK3CD 1193/4885RPS6KA5 3600/4885CYP1A2 12/4885
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH PIK3CD 1193/4885RPS6KA5 3600/4885CYP1A2 12/4885

“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.