SCHEMBL823709

SCHEMBL823709

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
SGK1 O00141 7/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATR Q13535 1/20 0.40
TP53 P04637 1/20 0.39
SREBF1 P36956 1/20 0.39
SREBF2 Q12772 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP7 Q93009 1/20 0.38

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
SCHEMBL823711 0.93 ALDH1A1 (0.42) DHFRMAPK8MAPK10HPGDSGK1
SCHEMBL4533754 0.88 MAPK10 (0.40) DHFRMAPK8MAPK10LMNAHPGD
SCHEMBL4524117 0.87 PTGS2 (0.43) DHFRMAPK8MAPK10MAPK1ALDH1A1
SCHEMBL4558379 0.87 MAPT (0.42) DHFRLMNAMAPK1MAPTALDH1A1
SCHEMBL823663 0.87 DHFR (0.54) DHFRLMNAMAPK1MAPTKDM4E
SCHEMBL4522465 0.84 MEN1 (0.46) MAPK8LMNAHPGDMAPTKDM4E
SCHEMBL823714 0.84 MAPT (0.40) DHFRLMNAHPGDMAPK1MAPT
SCHEMBL823755 0.83 PDE4A (0.41) HPGDMAPTKDM4EALDH1A1TP53
SCHEMBL823749 0.83 NPC1 (0.45) HPGDMAPTKDM4EALDH1A1MEN1
SCHEMBL3766597 0.83 ATR (0.46) DHFRMAPK8MAPK10LMNAHPGD

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 8 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-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
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
WO-2008077649-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTONS 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP DHFR 32/4885MAPK8 3434/4885MAPK10 4491/4885

“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.