SCHEMBL4108258

SCHEMBL4108258

COc1ccc(-c2nc(N)nc3ccc(Cl)nc23)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ADORA1 P30542 1/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX5 P09917 1/20 0.40
EPHX2 P34913 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 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
SCHEMBL4102189 0.87 ADORA2A (0.49) DHFRADORA1KDM4ETSHR
SCHEMBL4095473 0.82 ADORA2A (0.56) DHFRADORA1KMT2A
SCHEMBL4115567 0.81 ADORA2A (0.47) DHFRADORA1HSD17B10MAPT
SCHEMBL4103607 0.80 SLC10A2 (0.46) DHFRL3MBTL1ADORA1HSD17B10KDM4E
SCHEMBL4108093 0.80 HSP90AB1 (0.45) DHFRADORA1MAPTMEN1KMT2A
SCHEMBL4100670 0.80 DHFR (0.50) DHFRL3MBTL1KDM4EMAPTMEN1
SCHEMBL4107401 0.79 NPC1 (0.50) DHFRADORA1HSD17B10KDM4EMAPT
SCHEMBL1879036 0.79 HSP90AB1 (0.65) DHFRL3MBTL1ADORA1HSD17B10KDM4E
SCHEMBL182850 0.78 DHFR (0.53) DHFRL3MBTL1ADORA1HSD17B10KDM4E
SCHEMBL4102985 0.77 HSP90AB1 (0.58) DHFRL3MBTL1ADORA1KDM4EMAPT

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 DHFR 145/4885L3MBTL1 3325/4885ADORA1 163/4885

“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.