SCHEMBL823719

SCHEMBL823719

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MKNK1 Q9BUB5 4/20 0.51
MKNK2 Q9HBH9 4/20 0.51
CDC7 O00311 1/20 0.44
CDK19 Q9BWU1 1/20 0.44
PRKD3 O94806 1/20 0.43
PRKD1 Q15139 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
BRAF P15056 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FYN P06241 4/20 0.42
SETD7 Q8WTS6 1/20 0.41
RAD52 P43351 1/20 0.40
DAPK1 P53355 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL823807 0.88 MKNK1 (0.44) MAP4K4ALDH1A1MKNK1MKNK2TLR7
SCHEMBL823648 0.84 HPGD (0.50) MAP4K4MKNK1MKNK2TLR7HDAC4
SCHEMBL823761 0.84 MKNK2 (0.38) MAP4K4ALDH1A1MKNK1MKNK2TLR7
SCHEMBL3335835 0.83 ALDH1A1 (0.53) MAP4K4ALDH1A1PRKD3PRKD1PRKD2
SCHEMBL14300747 0.83 MAP4K4 (0.51) MAP4K4ALDH1A1MKNK1MKNK2CDC7
SCHEMBL823762 0.83 MKNK2 (0.47) MAP4K4MKNK1MKNK2HDAC4
SCHEMBL823718 0.82 MAP4K4 (0.41) MAP4K4MKNK1MKNK2
SCHEMBL5123118 0.82 MAP4K4 (0.47) MAP4K4ALDH1A1MKNK1MKNK2CDC7
SCHEMBL4425330 0.81 CHEK2 (0.45) MAP4K4MKNK1MKNK2
SCHEMBL823680 0.81 MKNK1 (0.49) MAP4K4ALDH1A1MKNK1MKNK2

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 MAP4K4 2930/4885ALDH1A1 1484/4885MKNK1 3271/4885

“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.