SCHEMBL4101539

SCHEMBL4101539

Nc1nc(-c2ccccc2)c2nc(-c3ccc(NCCN4CCOCC4)nc3)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.59
KDR P35968 1/20 0.50
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
FYN P06241 2/20 0.47
CHRM1 P11229 1/20 0.46
MAP4K4 O95819 2/20 0.46
SYK P43405 2/20 0.45
TLR9 Q9NR96 1/20 0.45
HIF1A Q16665 1/20 0.44
ACP1 P24666 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4103505 0.87 ATR (0.53) ATRKDRFYNMAP4K4SYK
SCHEMBL4107712 0.83 ATR (0.48) ATRKDRFYNMAP4K4SYK
SCHEMBL4358488 0.76 KDR (0.55) ATRKDRFYNSYK
SCHEMBL4106851 0.75 MAPT (0.55) ATRKDRADORA2AADORA1TLR9
SCHEMBL4363124 0.75 KDR (0.54) ATRKDRFYNCHRM1SYK
SCHEMBL3763992 0.75 NOS1 (0.61) ATRKDRFYNSYKTLR9
SCHEMBL13137969 0.74 ATR (1.00) ATR
SCHEMBL4109797 0.73 ADORA2A (0.41) ADORA2AADORA1MAP4K4TLR9ACP1
SCHEMBL4109788 0.73 ADORA2A (0.40) ADORA2AADORA1MAP4K4TLR9HIF1A
SCHEMBL4103382 0.73 ADORA2A (0.59) ADORA2AADORA1

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 ATR 3290/4885KDR 2137/4885ADORA2A 165/4885

“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.