SCHEMBL4104875

SCHEMBL4104875

Nc1nc(-c2ccccc2)c2nc(-c3ccc(C(=O)c4ccccc4)cc3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.43
NUDT1 P36639 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CHEK2 O96017 1/20 0.43
ABL1 P00519 1/20 0.41
FABP6 P51161 1/20 0.41
ADORA1 P30542 1/20 0.41
MAP4K4 O95819 1/20 0.40
DHFR P00374 1/20 0.40
PARP1 P09874 1/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAP2K3 P46734 1/20 0.40
SCD O00767 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
SCHEMBL4103412 0.99 ADORA2A (0.42) ADORA2ANUDT1MEN1KMT2ACHEK2
SCHEMBL4107056 0.90 PARP1 (0.46) ADORA2ANUDT1CHEK2MAP4K4PARP1
SCHEMBL4097472 0.86 ADORA2A (0.53) ADORA2ANUDT1MEN1KMT2AADORA1
SCHEMBL4114228 0.85 ALDH1A1 (0.46) ADORA2AMEN1KMT2ARAB9AALDH1A1
SCHEMBL4110194 0.83 ABCG2 (0.44) ADORA2ANUDT1MAP4K4PARP1ALDH1A1
SCHEMBL4113263 0.83 RARA (0.52) RAB9AALDH1A1KDM4ENPC1HPGD
SCHEMBL4097613 0.81 ADORA2A (0.60) ADORA2ANUDT1ADORA1MAP4K4
SCHEMBL4095783 0.81 MPO (0.41) MEN1KMT2ACHEK2ABL1FABP6
SCHEMBL4107803 0.81 ADORA2A (0.44) ADORA2ANUDT1ADORA1MAP4K4DHFR
SCHEMBL4112985 0.81 ADORA2A (0.44) ADORA2ANUDT1ADORA1MAP4K4DHFR

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 165/4885NUDT1 8/4885MEN1 4569/4885

“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.