SCHEMBL4401362

SCHEMBL4401362

CCOc1cc(OC)c(F)c(C#N)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.41
PDE4B Q07343 8/20 0.41
PDE4C Q08493 8/20 0.41
PDE4D Q08499 8/20 0.41
KDM4E B2RXH2 5/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TUBB1 Q9H4B7 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
SCHEMBL5398415 0.93 KDM4E (0.40) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4405119 0.87 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4395965 0.87 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4406875 0.87 KDM4E (0.42) KDM4EMAPTALDH1A1RECQLKMT2A
SCHEMBL4406758 0.77 KDM4E (0.49) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4404629 0.75 ESR1 (0.40) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL4401613 0.75 MAPT (0.37) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL18671538 0.75 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4551065 0.75 CYP11B1 (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4403734 0.75 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DKDM4E

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.