SCHEMBL3663889

SCHEMBL3663889

NC(=O)c1nc2ncncc2c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.41
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
RPS6KB1 P23443 1/20 0.31
AKT1 P31749 1/20 0.31
AKR1B1 P15121 1/20 0.31
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
MAP4K4 O95819 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
FGFR1 P11362 1/20 0.30
PDGFRA P16234 1/20 0.30
LTK P29376 1/20 0.30

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
SCHEMBL788792 0.79 METAP2 (0.42) PKN1PKN2
SCHEMBL13833239 0.77 KDM4E (0.49) PDE5AAKR1B1
SCHEMBL3247997 0.76 HCAR2 (0.55) HCAR2AURKA
SCHEMBL26018337 0.73 PDE5A (0.44) PDE5AHCAR2
SCHEMBL12102096 0.73 PDE5A (0.47) PDE5A
SCHEMBL1623385 0.73 PDE5A (0.44) PDE5AHCAR2
SCHEMBL788917 0.70 PKN1 (0.33) PKN1PKN2MKNK1RPS6KB1AKT1
SCHEMBL29774108 0.68 PDE5A (0.37) PDE5AAKR1B1
SCHEMBL11548431 0.66 TOP2A (0.46) TOP2ATOP2BMAP4K4CDK5CLK4
SCHEMBL38660781 0.66 KDM4E (0.45) RPS6KB1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139895-A1 AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-01-06 EP claimed
WO-2008116742-A1 AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 WO claimed
US-20080234277-A1 NOVEL AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 US claimed
EP-2139895-A1 AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-01-06 EP disclosed
WO-2008116742-A1 AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 WO disclosed
US-20080234277-A1 NOVEL AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 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-20080234277-A1 NOVEL AZA-PYRIDOPYRIMIDINONE DERIVATIVES CHRM1, CHRM2, CHRM4 PDE5A 339/4885PKN1 1415/4885PKN2 1850/4885

“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.