SCHEMBL823752

SCHEMBL823752

CC(C)(CN1CCOCC1)NC(=O)c1ccc(-c2ccc3nc(N)nc(O[C@H]4CCOC4)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.44
NAMPT P43490 2/20 0.40
HDAC4 P56524 1/20 0.39
MAP4K4 O95819 4/20 0.38
PIK3CA P42336 6/20 0.37
MTOR P42345 4/20 0.37
PIK3CG P48736 4/20 0.37
IRAK4 Q9NWZ3 3/20 0.36
NTRK1 P04629 1/20 0.36
FLT3 P36888 1/20 0.36
CNR2 P34972 2/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34

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
SCHEMBL826693 1.00 JAK1 (0.44) JAK1NAMPTHDAC4MAP4K4PIK3CA
SCHEMBL825965 0.95 HDAC4 (0.44) JAK1NAMPTHDAC4MAP4K4PIK3CA
SCHEMBL823748 0.95 HDAC4 (0.44) JAK1NAMPTHDAC4MAP4K4PIK3CA
SCHEMBL3336141 0.87 JAK1 (0.46) JAK1NAMPTHDAC4PIK3CAMTOR
SCHEMBL3336137 0.87 JAK1 (0.46) JAK1NAMPTHDAC4PIK3CAMTOR
SCHEMBL826378 0.85 PIK3CA (0.51) MAP4K4PIK3CAMTORPIK3CG
SCHEMBL823780 0.85 PIK3CA (0.51) MAP4K4PIK3CAMTORPIK3CG
SCHEMBL3337183 0.83 HDAC4 (0.44) JAK1NAMPTHDAC4PIK3CAMTOR
SCHEMBL3337179 0.83 HDAC4 (0.44) JAK1NAMPTHDAC4PIK3CAMTOR
SCHEMBL823662 0.81 PIK3CA (0.52) HDAC4MAP4K4PIK3CAMTORPIK3CG

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-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

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 JAK1 914/4885NAMPT 82/4885HDAC4 4444/4885

“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.