SCHEMBL823706

SCHEMBL823706

CCOc1nc(N)nc2ccc(-c3ccc(NC(=O)C4(O)CC4)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SSTR5 P35346 1/20 0.36
TEK Q02763 5/20 0.35
KDR P35968 3/20 0.35
EPHB4 P54760 3/20 0.35
ROCK2 O75116 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
DYRK1A Q13627 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKT1 P31749 2/20 0.33
AKT2 P31751 2/20 0.33
AKT3 Q9Y243 2/20 0.33

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
SCHEMBL823632 0.90 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DTEK
SCHEMBL4522465 0.86 MEN1 (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL823749 0.85 NPC1 (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL823755 0.85 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL823805 0.83 RAB9A (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL823746 0.83 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL14131671 0.82 SSTR5 (0.43) SSTR5ALDH1A1MAPTPOLBRET
SCHEMBL823751 0.82 TAAR1 (0.43) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL826077 0.82 TAAR1 (0.43) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL5115205 0.81 CA2 (0.46) ROCK2AKT1MEN1KMT2A

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
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
WO-2008077649-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP PDE4A 1300/4885PDE4B 1595/4885PDE4C 1685/4885

“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.