SCHEMBL4100793

SCHEMBL4100793

CNC(=O)N1CCN(c2nc(N)nc3ccc(-c4ccc(OC)c(OC)c4)nc23)CC1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.77
PDE4B Q07343 1/20 0.77
PDE4C Q08493 1/20 0.77
PDE4D Q08499 1/20 0.77
NOS1 P29475 1/20 0.51
PI4KB Q9UBF8 10/20 0.47
KCNH2 Q12809 3/20 0.43
NEK2 P51955 1/20 0.43
GAK O14976 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CYP3A4 P08684 1/20 0.40
PDGFRB P09619 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4113536 0.91 PDE4D (0.73) PDE4APDE4BPDE4CPDE4DNOS1
SCHEMBL4111904 0.90 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DNOS1
SCHEMBL8246696 0.90 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DNOS1
SCHEMBL4119305 0.89 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DNOS1
SCHEMBL4119270 0.89 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DNOS1
SCHEMBL4118650 0.88 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DNOS1
SCHEMBL4107511 0.87 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DNOS1
SCHEMBL4118497 0.87 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DNOS1
SCHEMBL4101282 0.87 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DNOS1
SCHEMBL4113404 0.87 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DNOS1

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 3 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 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
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.