SCHEMBL1076165

SCHEMBL1076165

Cc1nc(Cl)c(-c2c(F)cc(C#N)cc2F)n1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
TDP2 O95551 4/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
EGLN2 Q96KS0 2/20 0.35
GRM5 P41594 1/20 0.34
KCNH2 Q12809 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
GRM1 Q13255 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL1908385 0.91 EGLN2 (0.34) PIK3CAPIK3CDEGLN2GRM5KCNH2
SCHEMBL1074623 0.85 PIK3CA (0.41) POLBPIK3CAKCNH2GRM1KDM4E
SCHEMBL1900602 0.84 TDP2 (0.42) TDP2PIK3CDEGLN2GRM5KDM4E
SCHEMBL1074648 0.82 BRD4 (0.36) POLBTDP2EGLN2KCNH2BRD4
SCHEMBL1074860 0.81 POLB (0.36) POLBPIK3CAEGLN2GRM5KCNH2
SCHEMBL1073301 0.81 POLB (0.41) POLBPIK3CAGRM5GRM1KDM4E
SCHEMBL1073735 0.81 SMN1; SMN2 (0.41) POLBPIK3CAKDM4E
SCHEMBL1902028 0.81 GRM5 (0.45) PIK3CAPIK3CDEGLN2GRM5
SCHEMBL1901532 0.81 GRM5 (0.36) EGLN2GRM5
SCHEMBL1904366 0.81 ALDH1A1 (0.35) POLBPIK3CAPIK3CDEGLN2GRM5

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 9 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
WO-2011056463-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-12 WO disclosed
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 POLB 4699/4885TDP2 2718/4885PIK3CA 528/4885

“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.