SCHEMBL4097758

SCHEMBL4097758

Nc1nc(-c2cccc3ccccc23)c2nc(Cl)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.44
DHFR P00374 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
NUDT1 P36639 1/20 0.41
PRMT5 O14744 1/20 0.40
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT1 Q99873 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
DCPS Q96C86 1/20 0.37

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
SCHEMBL4097631 0.81 ADORA2A (0.45) ADORA2ADHFRNUDT1HSP90AA1HSP90AB1
SCHEMBL4106568 0.81 ADORA2A (0.57) ADORA2ADHFRNUDT1HSP90AA1HSP90AB1
SCHEMBL4097023 0.79 ADORA2A (0.44) ADORA2ADHFRNUDT1HSP90AA1HSP90AB1
SCHEMBL4100786 0.77 ADORA2A (0.54) ADORA2ADHFRNUDT1HSP90AA1HSP90AB1
SCHEMBL4107469 0.77 ADORA2A (0.52) ADORA2ADHFRHRH3NUDT1
SCHEMBL4102160 0.75 ADORA2A (0.53) ADORA2ADHFRNUDT1
SCHEMBL4100720 0.75 ADORA2A (0.51) ADORA2ADHFRNUDT1HSP90AA1HSP90AB1
SCHEMBL4109781 0.75 ADORA2A (0.42) ADORA2ADHFRNUDT1HSP90AA1HSP90AB1
SCHEMBL4103450 0.74 SRC (0.49) ADORA2ADHFRHSP90AB1
SCHEMBL4106450 0.72 ADORA2A (0.47) ADORA2AHSP90AA1

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 165/4885DHFR 145/4885HRH3 1351/4885

“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.