SCHEMBL4110165

SCHEMBL4110165

CCOC(=O)COc1ccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
SQOR Q9Y6N5 1/20 0.43
ACACA Q13085 3/20 0.43
PTPN1 P18031 2/20 0.42
KLK7 P49862 1/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
METAP1 P53582 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL4095698 0.90 F9 (0.44) KDM4EALDH1A1MAPTHSD17B10TP53
SCHEMBL4102183 0.85 KDM4E (0.47) KDM4EALDH1A1MAPTHSD17B10TP53
SCHEMBL4113263 0.83 RARA (0.52) KDM4EALDH1A1MAPTHSD17B10TP53
SCHEMBL4109851 0.83 HSP90AA1 (0.43) KDM4EALDH1A1MAPTHSD17B10TP53
SCHEMBL4107746 0.81 ADORA2A (0.42) KDM4EALDH1A1MAPTACACAGAA
SCHEMBL4101917 0.78 NPC1 (0.50) KDM4EALDH1A1MAPTHSD17B10TP53
SCHEMBL4108639 0.78 ADORA2A (0.63) KDM4EALDH1A1ACACAL3MBTL1NPSR1
SCHEMBL4107899 0.78 PPARA (0.42) KDM4EALDH1A1MAPTHSD17B10TP53
SCHEMBL4101040 0.77 ADORA2A (0.44)
SCHEMBL4107610 0.77 SCN9A (0.53) ALDH1A1MAPTL3MBTL1

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 KDM4E 2414/4885ALDH1A1 1721/4885MAPT 1752/4885

“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.