SCHEMBL1074281

SCHEMBL1074281

Cc1nc(C)n(-c2ccc(Cl)c(F)c2)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.43
PDE4B Q07343 7/20 0.40
PDE4D Q08499 6/20 0.40
CYP11B2 P19099 1/20 0.39
KCNH2 Q12809 1/20 0.36
BRD9 Q9H8M2 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
LCK P06239 1/20 0.33
KIT P10721 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL1225373 0.89 PDE4B (0.40) GRM1PDE4BPDE4DCYP11B2KCNH2
SCHEMBL1074093 0.89 GRM1 (0.46) GRM1PDE4BPDE4DCYP11B2KCNH2
SCHEMBL1074256 0.89 GRM1 (0.43) GRM1PDE4BPDE4DCYP11B2KCNH2
SCHEMBL1074296 0.87 GRM1 (0.40) GRM1PDE4BPDE4DCYP11B2KCNH2
SCHEMBL1073294 0.86 PIK3CA (0.41) GRM1KCNH2
SCHEMBL1074571 0.81 NOTUM (0.39)
SCHEMBL1073004 0.78 PDE4B (0.41) GRM1PDE4BPDE4DCYP11B2IDO1
SCHEMBL1074585 0.77 PDE4B (0.37) GRM1PDE4BPDE4DCYP11B2
SCHEMBL1074053 0.77 GRM1 (0.40) GRM1PDE4BPDE4DKCNH2IDO1
SCHEMBL19953205 0.77 POLB (0.36) GRM1BRD9

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 GRM1 1277/4885PDE4B 784/4885PDE4D 1386/4885

“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.