SCHEMBL4102183

SCHEMBL4102183

CCOC(=O)COc1ccc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
KLK7 P49862 1/20 0.42
ESR1 P03372 1/20 0.42
LTA4H P09960 5/20 0.41
PTPN1 P18031 1/20 0.40
GAA P10253 2/20 0.40
SQOR Q9Y6N5 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
ACACA Q13085 1/20 0.39
DPP4 P27487 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4107899 0.90 PPARA (0.42) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL4109851 0.86 HSP90AA1 (0.43) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL4110165 0.85 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL4115064 0.84 RARA (0.47) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL4108263 0.82 DHFR (0.40) ALDH1A1MAPTLTA4HGAA
SCHEMBL4107119 0.81 NOS1 (0.48) KDM4EALDH1A1LTA4H
SCHEMBL4102085 0.79 NPC1 (0.44) LTA4H
SCHEMBL4107011 0.79 NPC1 (0.47) ALDH1A1MAPTTP53
SCHEMBL4108177 0.78 DHFR (0.50) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL4103587 0.78 GHSR (0.41) KDM4EALDH1A1HPGDLTA4HGAA

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 1721/4885HSD17B10 3684/4885

“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.