SCHEMBL3924846

SCHEMBL3924846

CC(C)(C)OC(=O)C1CCN(c2nc(N)nc3ccc(-c4ccc(F)cc4)nc23)[C@H]1N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HDAC10 Q969S8 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
MAP4K4 O95819 3/20 0.32
PDE5A O76074 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
GAK O14976 1/20 0.32
MKNK1 Q9BUB5 4/20 0.32
MKNK2 Q9HBH9 4/20 0.32
PDK2 Q15119 1/20 0.31

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
SCHEMBL3931751 1.00 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DHDAC10
SCHEMBL3931902 0.88 HDAC10 (0.33) HDAC10HDAC6HDAC1HDAC2GAK
SCHEMBL4121557 0.86 PDE4D (0.51) PDE4APDE4BPDE4CPDE4DGAK
SCHEMBL4113388 0.78 SMARCA2 (0.44) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL4003219 0.78 SMARCA2 (0.44) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL4003216 0.78 SMARCA2 (0.44) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL13676265 0.77 PI4KB (0.41) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL8154203 0.77 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL4101649 0.77 PARP1 (0.42) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL4101652 0.77 PARP1 (0.42) PDE4APDE4BPDE4CPDE4DHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US claimed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US claimed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US claimed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
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
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO 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 (3 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
US-20090264415-A2 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.