SCHEMBL4114237

SCHEMBL4114237

Nc1nc(-c2ccccc2)c2nc(-c3cc(CO)ccc3Cl)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
ADORA1 P30542 10/20 0.39
ADORA2A P29274 10/20 0.38
NUDT1 P36639 2/20 0.38
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
HTR1A P08908 1/20 0.36
GPR68 Q15743 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ABL1 P00519 1/20 0.35
DHFR P00374 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL4101889 0.83 MPO (0.39) MAP4K4PDE2APDE10AHTR1AGPR68
SCHEMBL4103578 0.82 MAP4K4 (0.48) MAP4K4ADORA1ADORA2ANUDT1HTR1A
SCHEMBL4112985 0.82 ADORA2A (0.44) MAP4K4ADORA1ADORA2ANUDT1DHFR
SCHEMBL4107330 0.78 PDE2A (0.39) MAP4K4PDE2APDE10ADHFRHSP90AA1
SCHEMBL4113930 0.75 MAP4K4 (0.51) MAP4K4ADORA1ADORA2ANUDT1KDM4E
SCHEMBL4110066 0.74 ADORA2A (0.43) MAP4K4ADORA1ADORA2ANUDT1DHFR
SCHEMBL4097472 0.72 ADORA2A (0.53) MAP4K4ADORA1ADORA2ANUDT1DHFR
SCHEMBL28999643 0.72 CSNK2A1 (0.50) ABL1
SCHEMBL4102160 0.71 ADORA2A (0.53) MAP4K4ADORA1ADORA2ANUDT1DHFR
SCHEMBL4100786 0.71 ADORA2A (0.54) MAP4K4ADORA1ADORA2ANUDT1DHFR

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 MAP4K4 2166/4885ADORA1 163/4885ADORA2A 165/4885

“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.