SCHEMBL4101779

SCHEMBL4101779

CN(C)CCCOc1ccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 11/20 0.58
ATR Q13535 2/20 0.55
FYN P06241 1/20 0.45
CHEK2 O96017 1/20 0.43
NUDT1 P36639 1/20 0.43
ACVR1B P36896 1/20 0.42
TGFBR1 P36897 1/20 0.42
PAICS P22234 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
PRKDC P78527 1/20 0.41

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
SCHEMBL4107582 0.85 ATM (0.53) ATMATRFYNCHEK2ACVR1B
Dimethylamine SCHEMBL4101782 0.85 ATM (0.41) ATMATRNUDT1PIK3CDPIK3CB
SCHEMBL4107625 0.83 ATR (0.48) ATRNUDT1PIK3CDPIK3CBMTOR
SCHEMBL4108170 0.82 LOXL2 (0.42) ATMNUDT1MTOR
SCHEMBL4106907 0.82 ATM (0.48) ATMATRFYNCHEK2
SCHEMBL4106881 0.77 ADORA2A (0.45) NUDT1
SCHEMBL4107032 0.76 ADORA2A (0.44) NUDT1
SCHEMBL4113727 0.75 MAP4K4 (0.46) NUDT1PIK3CD
SCHEMBL4109900 0.75 ADORA2A (0.45) NUDT1
SCHEMBL4113843 0.75 ADORA2A (0.44) NUDT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD ATM 4725/4885ATR 3290/4885FYN 2675/4885

“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.