SCHEMBL823648

SCHEMBL823648

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
HDAC4 P56524 1/20 0.40
MEN1 O00255 1/20 0.40
MKNK2 Q9HBH9 6/20 0.39
MKNK1 Q9BUB5 5/20 0.39
KDM4E B2RXH2 2/20 0.38
MLYCD O95822 1/20 0.38
ACSS2 Q9NR19 1/20 0.37
NAMPT P43490 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL823657 0.89 HDAC4 (0.41) HPGDNPSR1SMN1; SMN2RXFP1L3MBTL1
SCHEMBL823762 0.89 MKNK2 (0.47) NPSR1KMT2AHDAC4MEN1MKNK2
SCHEMBL826110 0.87 HDAC4 (0.41) HPGDNPSR1SMN1; SMN2KMT2AHDAC4
SCHEMBL826328 0.87 HDAC4 (0.40) HPGDNPSR1SMN1; SMN2RXFP1L3MBTL1
SCHEMBL823807 0.86 MKNK1 (0.44) HPGDL3MBTL1MKNK2MKNK1KDM4E
SCHEMBL823761 0.85 MKNK2 (0.38) SMN1; SMN2RXFP1MKNK2MKNK1TLR7
SCHEMBL823719 0.84 MAP4K4 (0.52) HDAC4MKNK2MKNK1TLR7MAP4K4
SCHEMBL823718 0.84 MAP4K4 (0.41) MKNK2MKNK1MAPK8MAPK9MAP4K4
SCHEMBL4425330 0.83 CHEK2 (0.45) MKNK2MKNK1MAPK8MAP4K4
SCHEMBL3337998 0.83 HPGD (0.51) HPGDNPSR1SMN1; SMN2RXFP1L3MBTL1

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 HPGD 1119/4885NPSR1 4268/4885SMN1; SMN2 1295/4885

“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.