SCHEMBL826077

SCHEMBL826077

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
LTA4H P09960 1/20 0.39
CIT O14578 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
ROCK2 O75116 1/20 0.36
PTPN1 P18031 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
XIAP P98170 2/20 0.35
SLC2A1 P11166 1/20 0.35
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL823751 1.00 TAAR1 (0.43) TAAR1JAK2JAK3LTA4HCIT
SCHEMBL823661 0.90 JAK2 (0.42) JAK2JAK3CITPDE4APDE4B
SCHEMBL826043 0.90 JAK2 (0.42) JAK2JAK3CITPDE4APDE4B
SCHEMBL4522465 0.87 MEN1 (0.46) JAK2JAK3PDE4APDE4BPDE4C
SCHEMBL823749 0.86 NPC1 (0.45) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL823755 0.86 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL826214 0.85 TRPV1 (0.38) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL823804 0.85 TRPV1 (0.38) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL823746 0.84 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL826258 0.84 PDE4A (0.41) CITPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US claimed
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

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 TAAR1 2538/4885JAK2 885/4885JAK3 474/4885

“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.