SCHEMBL4096070

SCHEMBL4096070

CCCc1nc(N)nc2ccc(-c3cccc(OCC(=O)OCC)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
F9 P00740 1/20 0.44
F10 P00742 1/20 0.44
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
MAP4K4 O95819 5/20 0.40
HSP90AA1 P07900 1/20 0.40
DPP4 P27487 1/20 0.40
DHFR P00374 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KLK7 P49862 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
SQOR Q9Y6N5 1/20 0.37

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
SCHEMBL4109851 0.88 HSP90AA1 (0.43) KDM4EGAAHSD17B10PDE3BPDE3A
SCHEMBL4107899 0.88 PPARA (0.42) PPARAPPARGF9F10KDM4E
SCHEMBL4095698 0.86 F9 (0.44) PPARAPPARGF9F10KDM4E
SCHEMBL4101378 0.83 NPC1 (0.44) MAP4K4HSP90AA1DHFRTP53HPGD
SCHEMBL4113326 0.82 MAP4K4 (0.56) KDM4EMAP4K4DHFRALDH1A1HPGD
SCHEMBL4114833 0.81 MAOB (0.46) MAP4K4DHFR
SCHEMBL4101644 0.79 MAP4K4 (0.40) MAP4K4DHFR
SCHEMBL4101142 0.79 MAP4K4 (0.44) MAP4K4DHFR
SCHEMBL4844962 0.78 MAP4K4 (0.52) KDM4EGAAHSD17B10MAP4K4DHFR
SCHEMBL4095683 0.78 DHFR (0.51) MAP4K4DHFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
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 PPARA 445/4885PPARG 646/4885F9 2803/4885

“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.