SCHEMBL1074585

SCHEMBL1074585

COc1cc(F)c(-c2c(C)nc(Cl)n2-c2ccc(Cl)c(F)c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.37
PDE4D Q08499 5/20 0.37
GRM1 Q13255 1/20 0.36
GRM8 O00222 1/20 0.35
CYP1A2 P05177 1/20 0.35
GRM7 Q14831 1/20 0.35
CYP11B2 P19099 1/20 0.34
EGFR P00533 1/20 0.34
KDM1A O60341 1/20 0.34
AOC3 Q16853 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL1076149 0.91 CYP1A2 (0.36) GRM8CYP1A2GRM7EGFR
SCHEMBL1074296 0.90 GRM1 (0.40) PDE4BPDE4DGRM1GRM8CYP1A2
SCHEMBL1073998 0.89 PDE4B (0.38) PDE4BPDE4DGRM1CYP11B2EGFR
SCHEMBL1074420 0.89 CYP1A2 (0.38) PDE4BPDE4DGRM8CYP1A2GRM7
SCHEMBL1076597 0.88 ALDH1A1 (0.36) GRM8CYP1A2GRM7EGFR
SCHEMBL1075011 0.88 GLA (0.40) GRM8CYP1A2GRM7EGFR
SCHEMBL1225373 0.87 PDE4B (0.40) PDE4BPDE4DGRM1CYP11B2AOC3
SCHEMBL1073034 0.84 CYP1A2 (0.34) GRM8CYP1A2GRM7
SCHEMBL1225303 0.84 CYP1A2 (0.37) GRM8CYP1A2GRM7P2RX7
SCHEMBL1074801 0.84 CYP1A2 (0.40) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 US claimed
EP-2274284-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. Du Pont de Nemours and Company (US) 2011-01-19 EP claimed
WO-2009137538-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO claimed
WO-2009137651-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO claimed
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 US disclosed
EP-2274284-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. Du Pont de Nemours and Company (US) 2011-01-19 EP disclosed
WO-2009137538-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO disclosed
WO-2009137651-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 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-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES CBR3, NOX3, CBR1 PDE4B 784/4885PDE4D 1386/4885GRM1 1277/4885

“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.