SCHEMBL4097697

SCHEMBL4097697

COc1ccc(C=O)c(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.47
ADORA1 P30542 9/20 0.44
ADORA2B P29275 2/20 0.43
KDM4E B2RXH2 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NLRP3 Q96P20 1/20 0.41
MAP4K4 O95819 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL4102290 0.85 ADORA2A (0.44) ADORA2AADORA1KDM4EL3MBTL1MAPK1
SCHEMBL4112741 0.84 ADORA2A (0.44) ADORA2AADORA1KDM4EMAPK1MAP4K4
SCHEMBL4097651 0.83 DHFR (0.41) KDM4EL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL4101150 0.82 ADORA2A (0.63) ADORA2AADORA1ADORA2BMAP4K4DHFR
SCHEMBL4108639 0.81 ADORA2A (0.63) ADORA2AADORA1ADORA2BKDM4EL3MBTL1
SCHEMBL4112750 0.81 ADORA2A (0.43) ADORA2AADORA1KDM4EL3MBTL1MAPK1
SCHEMBL4115794 0.80 ADORA1 (0.43) ADORA2AADORA1KDM4EL3MBTL1MEN1
SCHEMBL4106331 0.78 DHFR (0.39) ADORA1ALDH1A1DHFR
SCHEMBL4107841 0.76 ADORA2A (0.46) ADORA2AADORA1KDM4EL3MBTL1MAPK1
SCHEMBL4103631 0.75 MAP4K4 (0.48) ADORA2AADORA1KDM4EMEN1KMT2A

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 4 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
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 ADORA2A 165/4885ADORA1 163/4885ADORA2B 190/4885

“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.