SCHEMBL826441

SCHEMBL826441

CN1CCCC1CCNC(=O)c1ccc(-c2ccc3nc(N)nc(OC4CCOC4)c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.43
PIK3CA P42336 4/20 0.41
PIK3CG P48736 3/20 0.41
MTOR P42345 2/20 0.41
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ACKR3 P25106 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
MAP4K4 O95819 2/20 0.36
MKNK1 Q9BUB5 3/20 0.36
MKNK2 Q9HBH9 3/20 0.36
CACNA1B Q00975 1/20 0.35

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
SCHEMBL823739 1.00 BRAF (0.43) BRAFPIK3CAPIK3CGMTORTLR9
SCHEMBL823662 0.88 PIK3CA (0.52) PIK3CAPIK3CGMTORHDAC3HDAC1
SCHEMBL826417 0.88 PIK3CA (0.52) PIK3CAPIK3CGMTORHDAC3HDAC1
SCHEMBL3335711 0.87 BRAF (0.48) BRAFPIK3CAPIK3CGMTORTLR9
SCHEMBL3335720 0.87 BRAF (0.48) BRAFPIK3CAPIK3CGMTORTLR9
SCHEMBL3335713 0.87 BRAF (0.48) BRAFPIK3CAPIK3CGMTORTLR9
SCHEMBL825991 0.87 PIK3CA (0.48) PIK3CAPIK3CGMTORHDAC3HDAC1
SCHEMBL823658 0.87 PIK3CA (0.48) PIK3CAPIK3CGMTORHDAC3HDAC1
SCHEMBL823780 0.86 PIK3CA (0.51) PIK3CAPIK3CGMTORMAP4K4
SCHEMBL826378 0.86 PIK3CA (0.51) PIK3CAPIK3CGMTORMAP4K4

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 3 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

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 BRAF 2393/4885PIK3CA 1189/4885PIK3CG 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.