SCHEMBL826435

SCHEMBL826435

CCC(C)(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)NC(C)C)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 3/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MAP4K4 O95819 4/20 0.37
ROCK2 O75116 1/20 0.37
HDAC4 P56524 1/20 0.37
BACE1 P56817 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
MLYCD O95822 1/20 0.34
XDH P47989 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RIPK1 Q13546 1/20 0.34
ACVR1 Q04771 1/20 0.34
MINK1 Q8N4C8 1/20 0.33
TNIK Q9UKE5 1/20 0.33
NEK3 P51956 1/20 0.33
LIMK1 P53667 1/20 0.33
NEK5 Q6P3R8 1/20 0.33

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
SCHEMBL825747 0.90 MKNK2 (0.45) MKNK2MKNK1MAP4K4ROCK2HDAC4
SCHEMBL826328 0.90 HDAC4 (0.40) MKNK2MKNK1HDAC4ACSS2MLYCD
SCHEMBL826101 0.89 MAP4K4 (0.38) MKNK2MKNK1MAP4K4RIPK1
SCHEMBL825895 0.89 MKNK2 (0.34) MKNK2MKNK1MAP4K4
SCHEMBL825728 0.86 MKNK1 (0.44) MKNK2MKNK1MAP4K4HDAC4ACSS2
SCHEMBL823762 0.86 MKNK2 (0.47) MKNK2MKNK1MAP4K4ROCK2HDAC4
SCHEMBL825927 0.86 MKNK1 (0.43) MKNK2MKNK1MAP4K4HDAC4ACSS2
SCHEMBL826099 0.86 MKNK1 (0.40) MKNK2MKNK1BACE1MLYCD
SCHEMBL826265 0.85 MKNK1 (0.44) MKNK2MKNK1MAP4K4HDAC4ACVR1
SCHEMBL823683 0.83 MKNK2 (0.46) MKNK2MKNK1MAP4K4ROCK2HDAC4

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 4 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-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 3271/4885MAP4K4 2930/4885

“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.