SCHEMBL4107243

SCHEMBL4107243

Nc1nc(-c2ccccc2)c2nc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 4/20 0.54
MKNK1 Q9BUB5 3/20 0.54
ATR Q13535 3/20 0.53
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
PLAUR Q03405 2/20 0.45
KCNH2 Q12809 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45

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
SCHEMBL4106909 0.88 ALDH1A1 (0.57) MKNK2MKNK1ATRALDH1A1KCNH2
SCHEMBL4112668 0.88 MKNK2 (0.58) MKNK2MKNK1ATRKCNH2ADORA2A
SCHEMBL4106229 0.84 MKNK2 (0.51) MKNK2MKNK1ATRHPGDALDH1A1
SCHEMBL4106851 0.83 MAPT (0.55) ATRHPGDALDH1A1TSHRLMNA
SCHEMBL4107056 0.80 PARP1 (0.46) MKNK2MKNK1ATRHPGDALDH1A1
SCHEMBL4104875 0.80 ADORA2A (0.43) HPGDALDH1A1LMNAADORA2AADORA1
SCHEMBL4095676 0.80 TLR8 (0.51) MKNK2MKNK1ATRHPGDKCNH2
SCHEMBL4103412 0.79 ADORA2A (0.42) HPGDALDH1A1LMNAADORA2AADORA1
SCHEMBL4102329 0.79 ALDH1A1 (0.59) MKNK2MKNK1ATRHPGDALDH1A1
SCHEMBL4097472 0.77 ADORA2A (0.53) HPGDALDH1A1TSHRLMNAADORA2A

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 MKNK2 4057/4885MKNK1 3562/4885ATR 3290/4885

“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.