SCHEMBL4097044

SCHEMBL4097044

COc1cc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.46
ADORA2A P29274 8/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAP4K4 O95819 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDO2 P48775 1/20 0.42
DHFR P00374 2/20 0.42
TYMS P04818 1/20 0.41
ACACA Q13085 1/20 0.41
NUDT1 P36639 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
SCHEMBL4101625 0.88 POLB (0.51) ADORA1ADORA2AALDH1A1L3MBTL1MAP4K4
SCHEMBL4097602 0.88 ADORA2A (0.59) ADORA1ADORA2ASMN1; SMN2DHFRTYMS
SCHEMBL4115794 0.84 ADORA1 (0.43) ADORA1ADORA2AALDH1A1L3MBTL1MAP4K4
SCHEMBL4095769 0.84 ADORA1 (0.48) ADORA1ADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL4097136 0.84 DHODH (0.48) ADORA1ADORA2AALDH1A1TSHRHSD17B10
SCHEMBL4101150 0.83 ADORA2A (0.63) ADORA1ADORA2AMAP4K4DHFR
SCHEMBL4108639 0.83 ADORA2A (0.63) ADORA1ADORA2AALDH1A1TDP1L3MBTL1
SCHEMBL4114223 0.82 NOS1 (0.43) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL4113768 0.82 ADORA2A (0.46) ADORA1ADORA2AMAP4K4TDO2
SCHEMBL4107522 0.82 MAPT (0.48) ADORA1ADORA2AALDH1A1TDP1L3MBTL1

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 ADORA1 163/4885ADORA2A 165/4885ALDH1A1 1721/4885

“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.