SCHEMBL4097023

SCHEMBL4097023

Cc1cccc(-c2nc(N)nc3ccc(Cl)nc23)c1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.44
NUDT1 P36639 4/20 0.41
DHFR P00374 1/20 0.36
LCK P06239 1/20 0.35
KDR P35968 1/20 0.35
JAK3 P52333 1/20 0.35
MAPK14 Q16539 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HSP90AA1 P07900 1/20 0.35
SRC P12931 1/20 0.35
MAP4K4 O95819 1/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
ACHE P22303 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4106568 0.89 ADORA2A (0.57) ADORA2ANUDT1DHFRLCKKDR
SCHEMBL4774971 0.87 MAPT (0.38) ADORA2ANUDT1DHFRHSP90AB1MAPT
SCHEMBL4109781 0.85 ADORA2A (0.42) ADORA2ANUDT1DHFRHSP90AB1HSP90AA1
SCHEMBL4102481 0.80 HSP90AB1 (0.40) ADORA2ADHFRHSP90AB1SRCMAP4K4
SCHEMBL4097758 0.79 ADORA2A (0.44) ADORA2ANUDT1DHFRHSP90AB1HSP90AA1
SCHEMBL4106705 0.78 HSP90AB1 (0.44) ADORA2ADHFRHSP90AB1MAPTRAB9A
SCHEMBL4107761 0.78 HSP90AB1 (0.44) ADORA2ADHFRHSP90AB1MAPTRAB9A
SCHEMBL4097631 0.77 ADORA2A (0.45) ADORA2ANUDT1DHFRHSP90AB1HSP90AA1
SCHEMBL4104681 0.77 ADORA2A (0.42) ADORA2ANUDT1DHFRLCKKDR
SCHEMBL4107356 0.75 RAB9A (0.49) ADORA2AHSP90AB1MAP4K4MAPTRAB9A

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 8/4885DHFR 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.