SCHEMBL4551065

SCHEMBL4551065

CCOc1cc(C#N)c(F)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
AR P10275 7/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
SRC P12931 2/20 0.37
IDH1 O75874 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
BRCA1 P38398 1/20 0.36
HBB P68871 1/20 0.36

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
SCHEMBL4405379 0.90 CYP11B1 (0.43) CYP11B1CYP11B2ARKDM4EALDH1A1
SCHEMBL4403734 0.87 PDE4A (0.41) CYP11B1CYP11B2ARKDM4EALDH1A1
SCHEMBL4406542 0.84 AR (0.45) CYP11B1CYP11B2ARKDM4EALDH1A1
SCHEMBL4404767 0.80 CYP11B1 (0.42) CYP11B1CYP11B2ARKDM4EALDH1A1
SCHEMBL13367745 0.78 AR (0.59) CYP11B1CYP11B2ARKDM4EALDH1A1
SCHEMBL4405978 0.76 MAPT (0.42) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL4401362 0.75 PDE4A (0.41) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL13755164 0.74 GLA (0.43) CYP11B1CYP11B2ARKDM4EALDH1A1
SCHEMBL18671538 0.73 PDE4A (0.46) CYP11B1CYP11B2ARKDM4EALDH1A1
SCHEMBL4404809 0.73 PDE4A (0.42) KDM4EPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 US 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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 CYP11B1 2119/4885CYP11B2 2537/4885AR 2339/4885

“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.