SCHEMBL898920

SCHEMBL898920

Cc1nc(Cl)n(-c2c(F)cccc2F)c1C(O)c1ccc(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.37
MAPK14 Q16539 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PDE7A Q13946 2/20 0.33
MAPK13 O15264 2/20 0.32
MAPK12 P53778 2/20 0.32
MAPK11 Q15759 2/20 0.32
MDM2 Q00987 2/20 0.32
GPR139 Q6DWJ6 1/20 0.32
HSD11B1 P28845 1/20 0.32
TP53 P04637 1/20 0.31
NR3C1 P04150 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL898935 0.95 NR3C2 (0.36) NR3C2MAPK14L3MBTL1PDE7AMAPK11
SCHEMBL898064 0.89 MAPK14 (0.33) NR3C2MAPK14PDE7AMAPK13MAPK12
SCHEMBL898723 0.89 NR3C2 (0.36) NR3C2MAPK14L3MBTL1PDE7AMAPK13
SCHEMBL899021 0.88 NR3C2 (0.34) NR3C2MDM2
SCHEMBL899670 0.88 NR3C2 (0.36) NR3C2MAPK14L3MBTL1PDE7AMAPK13
SCHEMBL898061 0.87 PDE2A (0.33) NR3C2
SCHEMBL899285 0.86 NR3C2 (0.35) NR3C2MAPK14PDE7AMAPK13MAPK12
SCHEMBL899221 0.85 GLA (0.36) NR3C2MAPK14MAPK13MAPK12MAPK11
SCHEMBL899820 0.84 WNT3A (0.34) MAPK14MAPK13MAPK12MAPK11
SCHEMBL898213 0.84 NR3C2 (0.35) NR3C2MAPK14L3MBTL1PDE7AMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621907-A1 FUNGICIDAL IMIDAZOLES E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP claimed
US-20130143929-A1 FUNGICIDAL IMIDAZOLES EI DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US claimed
WO-2012044650-A1 FUNGICIDAL IMIDAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-05 WO claimed
EP-2621907-A1 FUNGICIDAL IMIDAZOLES E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP disclosed
US-20130143929-A1 FUNGICIDAL IMIDAZOLES EI DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012044650-A1 FUNGICIDAL IMIDAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-05 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-20130143929-A1 FUNGICIDAL IMIDAZOLES CYP1A1, CYP1B1, CYP2E1 NR3C2 2193/4885MAPK14 3555/4885L3MBTL1 1864/4885

“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.