SCHEMBL823737

SCHEMBL823737

CCOc1nc(N)nc2ccc(-c3ccc(NC(=O)C4(N)CC4)c(F)c3)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HPSE Q9Y251 2/20 0.34
MAPT P10636 3/20 0.33
MAP4K4 O95819 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
CTPS1 P17812 3/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33
KIF11 P52732 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
MOK Q9UQ07 3/20 0.32
MEN1 O00255 1/20 0.32
PSMD14 O00487 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.85 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL823804 0.84 TRPV1 (0.38) PDE4APDE4BPDE4CPDE4DHPSE
SCHEMBL826214 0.84 TRPV1 (0.38) PDE4APDE4BPDE4CPDE4DHPSE
SCHEMBL4526798 0.79 MAP4K4 (0.41) MAP4K4TP53SMN1; SMN2
SCHEMBL4412814 0.78 MET (0.40) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL4412818 0.78 MAP4K4 (0.38) MAPTMAP4K4RXFP1TP53SMN1; SMN2
SCHEMBL823706 0.76 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4513145 0.76 MAP4K4 (0.42) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL4526022 0.75 DHFR (0.40) MAP4K4
SCHEMBL4526296 0.75 ALDH1A1 (0.47) PDE4APDE4BPDE4CPDE4DMAPT

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 5 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

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.