SCHEMBL823650

SCHEMBL823650

CC(C)(N)C(=O)Nc1ccc(-c2ccc3nc(N)nc(O[C@@H]4CCOC4)c3n2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
GRM4 Q14833 2/20 0.36
TTK P33981 2/20 0.35
CLK1 P49759 2/20 0.35
CLK2 P49760 2/20 0.35
PIK3R1 P27986 1/20 0.35
MAP4K4 O95819 1/20 0.34
MAPK1 P28482 3/20 0.34
CTPS1 P17812 2/20 0.34
EGFR P00533 1/20 0.34
CTPS2 Q9NRF8 1/20 0.34
GRM5 P41594 2/20 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
SCHEMBL825938 1.00 PIK3CA (0.37) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL825714 0.87 GRM4 (0.38) PIK3CAMTORPIK3CGMAPK8MAPK9
SCHEMBL823789 0.87 GRM4 (0.38) PIK3CAMTORPIK3CGMAPK8MAPK9
SCHEMBL823702 0.85 HDAC1 (0.36) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL825985 0.85 HDAC1 (0.36) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4423835 0.82 MAPK1 (0.46) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4423840 0.82 ALOX5AP (0.38) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3609814 0.78 HDAC1 (0.39) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL13500401 0.78 HDAC1 (0.39) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3605007 0.78 HDAC1 (0.39) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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 PIK3CA 1189/4885MTOR 4090/4885PIK3CD 2311/4885

“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.