SCHEMBL823683

SCHEMBL823683

CC(C)NC(=O)c1ccc(-c2ccc3nc(N)nc(OC(C)C)c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 2/20 0.46
MKNK1 Q9BUB5 1/20 0.46
ROCK2 O75116 1/20 0.40
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
HDAC4 P56524 1/20 0.38
MAP4K4 O95819 4/20 0.38
XDH P47989 2/20 0.38
BACE1 P56817 1/20 0.37
RIPK1 Q13546 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MINK1 Q8N4C8 1/20 0.36
TNIK Q9UKE5 1/20 0.36
MLYCD O95822 1/20 0.36
NEK3 P51956 1/20 0.35

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
SCHEMBL823724 0.90 MKNK2 (0.38) MKNK2MKNK1MAP4K4XDHBACE1
SCHEMBL823771 0.88 JAK2 (0.38) MKNK2MKNK1MAP4K4RIPK1HDAC3
SCHEMBL823657 0.87 HDAC4 (0.41) MKNK2MKNK1HDAC4HDAC3HDAC1
SCHEMBL823762 0.87 MKNK2 (0.47) MKNK2MKNK1ROCK2IP6K1IP6K3
SCHEMBL825747 0.87 MKNK2 (0.45) MKNK2MKNK1ROCK2IP6K1IP6K3
SCHEMBL823721 0.87 SMN1; SMN2 (0.51) MKNK2MKNK1ROCK2HDAC4MAP4K4
SCHEMBL823813 0.86 MKNK1 (0.45) MKNK2MKNK1MAP4K4POLB
SCHEMBL823767 0.86 SMN1; SMN2 (0.53) MKNK2MKNK1ROCK2HDAC4MAP4K4
SCHEMBL823773 0.85 MKNK2 (0.46) MKNK2MKNK1ROCK2IP6K1IP6K3
SCHEMBL823810 0.85 NAMPT (0.42) MKNK2MKNK1BACE1TSHRKDM4E

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 MKNK2 3173/4885MKNK1 3271/4885ROCK2 4828/4885

“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.