SCHEMBL3602768

SCHEMBL3602768

C#CC(CC)Oc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.33
TLR8 Q9NR97 2/20 0.33
GAK O14976 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
KDM4E B2RXH2 4/20 0.32
MEN1 O00255 3/20 0.32
HPGD P15428 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
SLC2A1 P11166 1/20 0.32
ADORA2A P29274 1/20 0.32
PDE5A O76074 1/20 0.31
CDK9 P50750 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
MAP4K4 O95819 2/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
KCNH2 Q12809 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
SCHEMBL3613246 0.86 DHFR (0.37) DHFRTLR8GAKTLR7KDM4E
SCHEMBL4106500 0.84 SLC2A1 (0.44) DHFRTLR8GAKTLR7KDM4E
SCHEMBL3609932 0.83 DHFR (0.35) DHFRTLR8GAKTLR7KDM4E
SCHEMBL3605191 0.83 DHFR (0.35) DHFRTLR8GAKTLR7KDM4E
SCHEMBL3603368 0.83 KDM4E (0.34) DHFRTLR8GAKTLR7KDM4E
SCHEMBL3610301 0.81 DHFR (0.34) DHFRTLR8GAKTLR7KDM4E
SCHEMBL4119298 0.81 MAP4K4 (0.39) DHFRTLR8GAKTLR7KDM4E
SCHEMBL4122428 0.79 MPO (0.39) DHFRTLR8GAKTLR7KDM4E
SCHEMBL3603371 0.78 MAOB (0.48) DHFRKDM4EMEN1HPGDKMT2A
SCHEMBL3610299 0.78 MCHR1 (0.41) DHFRTLR8GAKTLR7KDM4E

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 DHFR 37/4885TLR8 2071/4885GAK 2568/4885

“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.