SCHEMBL3610299

SCHEMBL3610299

CCOCC(C)Oc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
CDK8 P49336 1/20 0.35
CDK5 Q00535 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
DHFR P00374 5/20 0.34
DCPS Q96C86 2/20 0.34
SLC2A1 P11166 1/20 0.34
MAP4K4 O95819 3/20 0.32
ADORA2A P29274 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.31
KCNH2 Q12809 1/20 0.31
GAK O14976 1/20 0.31
PDE5A O76074 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31

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
SCHEMBL3605187 0.89 DHFR (0.45) MCHR1TLR8TLR7DHFRDCPS
SCHEMBL3609927 0.89 DHFR (0.45) MCHR1TLR8TLR7DHFRDCPS
SCHEMBL4106500 0.89 SLC2A1 (0.44) MCHR1TLR8TLR7DHFRSLC2A1
SCHEMBL3603368 0.85 KDM4E (0.34) TLR8TLR7DHFRDCPSSLC2A1
SCHEMBL3613246 0.84 DHFR (0.37) MCHR1TLR8TLR7DHFRSLC2A1
SCHEMBL4119298 0.84 MAP4K4 (0.39) TLR8TLR7DHFRMAP4K4ADORA2A
SCHEMBL14139815 0.83 DHFR (0.34) TLR8TLR7DHFRSLC2A1MAP4K4
SCHEMBL3603742 0.83 NOS1 (0.41) MCHR1DHFRSLC2A1KDM4EMAPT
SCHEMBL13500400 0.83 CDK1 (0.43) TLR8TLR7DHFRSLC2A1MAP4K4
SCHEMBL3610301 0.81 DHFR (0.34) TLR8TLR7DHFRSLC2A1MAP4K4

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-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US claimed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US claimed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed

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-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK MCHR1 2742/4885CDK8 529/4885CDK5 354/4885

“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.