SCHEMBL4523686

SCHEMBL4523686

CC(=O)Nc1ccc(-c2ccc3nc(N)nc(N4CCN(C(C)=O)CC4)c3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4C Q08493 1/20 0.59
PDE4D Q08499 1/20 0.59
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
PI4KB Q9UBF8 9/20 0.46
KCNH2 Q12809 4/20 0.44
MTOR P42345 1/20 0.42
CYP3A4 P08684 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
JAK2 O60674 2/20 0.41
KDM4E B2RXH2 2/20 0.40
PRNP P04156 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
WDR5 P61964 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL4519946 0.91 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4531681 0.90 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4519557 0.88 MTOR (0.55) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL823641 0.87 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4528382 0.86 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5470320 0.84 NOS1 (0.53) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4355642 0.83 MEN1 (0.51) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4114188 0.83 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4107715 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8246696 0.80 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DKMT2A

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-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO PDE4A 1370/4885PDE4B 1438/4885PDE4C 1064/4885

“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.