SCHEMBL5109456

SCHEMBL5109456

COCCNc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.45
KCNH3 Q9ULD8 2/20 0.44
TLR8 Q9NR97 5/20 0.43
TLR7 Q9NYK1 5/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 3/20 0.39
ADORA2A P29274 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL5121413 0.85 MAP4K4 (0.47) KCNH3TLR8TLR7MAPTTP53
SCHEMBL5111443 0.85 KCNH3 (0.45) IP6K1KCNH3TLR8TLR7MAPT
SCHEMBL4525792 0.84 ACHE (0.40) IP6K1KCNH3TLR8TLR7MAPT
SCHEMBL5120988 0.84 KCNH3 (0.46) IP6K1KCNH3TLR8TLR7MAPT
SCHEMBL4532171 0.83 TLR7 (0.56) KCNH3TLR8TLR7MAPTKDM4E
SCHEMBL5116062 0.83 PTGS2 (0.46) TLR8TLR7MAPTGAATP53
SCHEMBL5122839 0.81 CCNE1 (0.47) KCNH3TLR8TLR7MAPTKDM4E
SCHEMBL5115971 0.81 MAPT (0.46) KCNH3TLR8TLR7MAPTKDM4E
SCHEMBL5110553 0.81 TLR8 (0.39) TLR8TLR7MAPTTP53ADORA2A
SCHEMBL5111070 0.81 MAPT (0.50) KCNH3MAPTMEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP IP6K1 2034/4885KCNH3 2651/4885TLR8 2289/4885

“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.