SCHEMBL13948828

SCHEMBL13948828

C=C(C)OC(=O)N[C@H]1CCN(c2nc(N)nc3ccc(-c4ccc(F)cc4)nc23)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
SMPD3 Q9NY59 1/20 0.38
HRH4 Q9H3N8 9/20 0.38
HRH3 Q9Y5N1 5/20 0.36
GRIA1 P42261 3/20 0.36
ACKR3 P25106 2/20 0.36
KCNH2 Q12809 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
CYP11B2 P19099 1/20 0.36
BTK Q06187 1/20 0.35
MELK Q14680 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
SCHEMBL3924839 0.87 MAP4K4 (0.47) PDE4APDE4BPDE4CPDE4DBTK
SCHEMBL3927951 0.87 MAP4K4 (0.47) PDE4APDE4BPDE4CPDE4DBTK
SCHEMBL8155298 0.79 BPTF (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL8158083 0.79 BPTF (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL3931900 0.77 PDE10A (0.42) SMPD3
SCHEMBL3922080 0.75 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL4121554 0.75 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL3921361 0.75 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL4528382 0.74 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL3921822 0.74 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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 (2 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-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDE4A 112/4885PDE4B 313/4885PDE4C 158/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDE4A 112/4885PDE4B 313/4885PDE4C 158/4885

“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.