SCHEMBL823658

SCHEMBL823658

Nc1nc(O[C@H]2CCOC2)c2nc(-c3ccc(C(=O)NCCCN4CCCC4)cc3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.48
MTOR P42345 2/20 0.48
PIK3CG P48736 2/20 0.48
MAP4K4 O95819 4/20 0.42
ATR Q13535 4/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACP1 P24666 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL825991 1.00 PIK3CA (0.48) PIK3CAMTORPIK3CGMAP4K4ATR
SCHEMBL823662 0.95 PIK3CA (0.52) PIK3CAMTORPIK3CGMAP4K4ATR
SCHEMBL826417 0.95 PIK3CA (0.52) PIK3CAMTORPIK3CGMAP4K4ATR
SCHEMBL826378 0.91 PIK3CA (0.51) PIK3CAMTORPIK3CGMAP4K4
SCHEMBL823780 0.91 PIK3CA (0.51) PIK3CAMTORPIK3CGMAP4K4
SCHEMBL3335092 0.87 PIK3CA (0.50) PIK3CAMTORPIK3CGHDAC3HDAC1
SCHEMBL3335090 0.87 PIK3CA (0.50) PIK3CAMTORPIK3CGHDAC3HDAC1
SCHEMBL823739 0.87 BRAF (0.43) PIK3CAMTORPIK3CGMAP4K4ATR
SCHEMBL826441 0.87 BRAF (0.43) PIK3CAMTORPIK3CGMAP4K4ATR
SCHEMBL825965 0.84 HDAC4 (0.44) PIK3CAMTORPIK3CGMAP4K4ATR

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 4090/4885PIK3CG 2023/4885

“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.