SCHEMBL4403734

SCHEMBL4403734

CCOc1cc(OC)cc(C#N)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.41
PDE4B Q07343 5/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
AR P10275 3/20 0.41
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CALM1 P0DP23 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 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) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL4551065 0.87 CYP11B1 (0.42) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL4406542 0.84 AR (0.45) ARCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL973000 0.78 AR (0.51) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL4406925 0.78 AR (0.39) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL23850151 0.77 CYP11B1 (0.43) ARCYP11B1CYP11B2HSD17B10KDM4E
SCHEMBL4405345 0.76 MAPT (0.42) PDE4APDE4BPDE4CPDE4DCALM1
SCHEMBL4401362 0.75 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL4412659 0.74 CYP3A4 (0.45) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL4404767 0.73 CYP11B1 (0.42) ARCYP11B1CYP11B2NPC1RAB9A

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 PDE4A 1438/4885PDE4B 1642/4885PDE4C 1544/4885

“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.