SCHEMBL823748

SCHEMBL823748

CC(C)(CN1CCCC1)NC(=O)c1ccc(-c2ccc3nc(N)nc(O[C@H]4CCOC4)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
JAK1 P23458 1/20 0.39
MTOR P42345 3/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CG P48736 2/20 0.38
NAMPT P43490 2/20 0.35
MAP4K4 O95819 5/20 0.33
IRAK4 Q9NWZ3 4/20 0.33
NTRK1 P04629 1/20 0.33
FLT3 P36888 1/20 0.33
CNR2 P34972 1/20 0.33
ATR Q13535 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32

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
SCHEMBL825965 1.00 HDAC4 (0.44) HDAC4JAK1MTORPIK3CAPIK3CG
SCHEMBL823752 0.95 JAK1 (0.44) HDAC4JAK1MTORPIK3CAPIK3CG
SCHEMBL826693 0.95 JAK1 (0.44) HDAC4JAK1MTORPIK3CAPIK3CG
SCHEMBL3337179 0.87 HDAC4 (0.44) HDAC4JAK1MTORPIK3CAPIK3CG
SCHEMBL3337183 0.87 HDAC4 (0.44) HDAC4JAK1MTORPIK3CAPIK3CG
SCHEMBL826417 0.85 PIK3CA (0.52) HDAC4MTORPIK3CAPIK3CGMAP4K4
SCHEMBL823662 0.85 PIK3CA (0.52) HDAC4MTORPIK3CAPIK3CGMAP4K4
SCHEMBL825991 0.84 PIK3CA (0.48) MTORPIK3CAPIK3CGMAP4K4ATR
SCHEMBL823658 0.84 PIK3CA (0.48) MTORPIK3CAPIK3CGMAP4K4ATR
SCHEMBL3336141 0.83 JAK1 (0.46) HDAC4JAK1MTORPIK3CAPIK3CG

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 HDAC4 4444/4885JAK1 914/4885MTOR 4090/4885

“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.