SCHEMBL1073294

SCHEMBL1073294

Cc1nc(C)n(-c2ccc(Cl)cc2)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
GRM5 P41594 2/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
GRM1 Q13255 1/20 0.36
GSR P00390 1/20 0.36
KCNH2 Q12809 2/20 0.35
AOC3 Q16853 1/20 0.35

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
SCHEMBL1074623 0.89 PIK3CA (0.41) PIK3CAPOLBKDM4EMAPTTHRB
SCHEMBL1076468 0.89 POLB (0.37) PIK3CAGRM5POLBKDM4EMAPT
SCHEMBL1072687 0.87 PDE2A (0.40) PIK3CAGRM5POLBKDM4EGRM1
SCHEMBL1073747 0.87 SMN1; SMN2 (0.41) PIK3CAPOLBKDM4E
SCHEMBL1074281 0.86 GRM1 (0.43) GRM1KCNH2
SCHEMBL1076197 0.84 POLB (0.38) PIK3CAGRM5POLBKDM4EGRM1
SCHEMBL1073297 0.83 CACNA2D1 (0.43) PIK3CA
SCHEMBL19953205 0.82 POLB (0.36) PIK3CAGRM5POLBKDM4EGRM1
SCHEMBL19967313 0.82 POLB (0.36) PIK3CAGRM5POLBKDM4EMAPT
SCHEMBL1074571 0.80 NOTUM (0.39) GRM5KDM4E

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 PIK3CA 528/4885GRM5 2940/4885POLB 4699/4885

“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.