SCHEMBL4097602

SCHEMBL4097602

COc1cc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.59
ADORA1 P30542 2/20 0.59
DHFR P00374 3/20 0.47
TYMS P04818 1/20 0.47
PDGFRB P09619 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
FYN P06241 1/20 0.44
ACHE P22303 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4097044 0.88 ADORA1 (0.46) ADORA2AADORA1DHFRTYMSSMN1; SMN2
SCHEMBL4101625 0.86 POLB (0.51) ADORA2AADORA1FYNSMN1; SMN2
SCHEMBL4106777 0.84 SLC10A2 (0.46) ADORA2AADORA1DHFRFYN
SCHEMBL4113768 0.84 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL4101150 0.82 ADORA2A (0.63) ADORA2AADORA1DHFR
SCHEMBL4108241 0.82 DHFR (0.47) ADORA2AADORA1DHFRLMNASMN1; SMN2
SCHEMBL4108639 0.82 ADORA2A (0.63) ADORA2AADORA1LMNASMN1; SMN2
SCHEMBL4115794 0.82 ADORA1 (0.43) ADORA2AADORA1DHFRSMN1; SMN2
SCHEMBL4097136 0.81 DHODH (0.48) ADORA2AADORA1SMN1; SMN2
SCHEMBL4095769 0.81 ADORA1 (0.48) ADORA2AADORA1LMNASMN1; SMN2

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 ADORA2A 165/4885ADORA1 163/4885DHFR 145/4885

“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.