SCHEMBL4113136

SCHEMBL4113136

COc1ccc(-c2ccc3nc(Nc4ccc(C)cc4)nc(N4CCNC[C@@H]4C(=O)Nc4cccc(C)c4)c3n2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 6/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
DHODH Q02127 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
FYN P06241 1/20 0.36
PTGS2 P35354 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
JAK2 O60674 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
SCHEMBL4106830 1.00 PDPK1 (0.42) PDPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL4524902 0.92 FYN (0.41) PDPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL4121596 0.90 PDE4A (0.41) PDPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL3922549 0.89 PDE4A (0.44) PDPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL4521469 0.89 PDE4A (0.51) PDPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL4112903 0.88 FYN (0.40) PDPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL4102431 0.85 PDE4A (0.49) PDPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL3920443 0.85 DHODH (0.38) PDPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL4113839 0.84 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5463628 0.80 NOS1 (0.51) PDPK1PDE4APDE4BPDE4CPDE4D

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 1 patent. 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

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-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDPK1 1590/4885PDE4A 112/4885PDE4B 313/4885

“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.