SCHEMBL823698

SCHEMBL823698

Nc1nc(N2CCOCC2)c2nc(-c3ccc(C(=O)NC4CC4)cc3)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.52
MKNK2 Q9HBH9 2/20 0.52
MAPK14 Q16539 2/20 0.46
LCK P06239 1/20 0.45
KIT P10721 1/20 0.45
KDR P35968 1/20 0.45
MAPK9 P45984 1/20 0.45
ATR Q13535 2/20 0.44
ATRIP Q8WXE1 1/20 0.44
MTOR P42345 3/20 0.44
PIK3CA P42336 2/20 0.44
NOS1 P29475 2/20 0.43
BMPR1B O00238 2/20 0.42
BMPR1A P36894 2/20 0.42
TGFBR1 P36897 2/20 0.42
ACVRL1 P37023 2/20 0.42
ACVR1 Q04771 2/20 0.42
FLT3 P36888 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PDE4A P27815 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
SCHEMBL823684 0.88 MKNK1 (0.51) MKNK1MKNK2MAPK14ATRPDE4A
SCHEMBL3766169 0.85 NOS1 (0.64) MKNK1MKNK2MAPK14LCKKIT
SCHEMBL4528710 0.80 PIK3CD (0.54) MTORPIK3CANOS1HDAC6PDE4A
SCHEMBL4519557 0.79 MTOR (0.55) MTORPIK3CANOS1PDE4APDE4B
SCHEMBL4106425 0.79 PI4KB (0.58) MKNK1MKNK2PDE4APDE4BPDE4C
SCHEMBL4101991 0.78 NOS1 (0.52) MTORPIK3CANOS1PDE4APDE4B
SCHEMBL4114309 0.78 NOS1 (0.52) MKNK1MKNK2MTORPIK3CANOS1
SCHEMBL4523916 0.77 PDE4A (0.51) MTORPIK3CANOS1PDE4APDE4B
SCHEMBL823731 0.77 MKNK1 (0.47) MKNK1MKNK2MAPK14ATRMAP4K4
SCHEMBL4107831 0.77 NOS1 (0.53) MTORPIK3CANOS1KDM4E

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 8 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-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
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
WO-2008077649-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP MKNK1 3271/4885MKNK2 3173/4885MAPK14 3443/4885

“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.