SCHEMBL4110147

SCHEMBL4110147

COc1ccc(C)cc1-c1ccc2nc(N)nc(Cc3ccccc3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.39
MPO P05164 1/20 0.39
ADORA2A P29274 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
APP P05067 2/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
NOS1 P29475 1/20 0.37
DHFR P00374 4/20 0.36
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4097614 0.87 MPO (0.41) MPOADORA2ATLR8TLR7APP
SCHEMBL4112267 0.87 DHFR (0.39) HSP90AA1MPOADORA2ATLR8TLR7
SCHEMBL4097223 0.85 MPO (0.40) HSP90AA1MPOADORA2ATLR8TLR7
SCHEMBL4103486 0.84 MPO (0.41) MPOADORA2ATLR8TLR7APP
SCHEMBL4110196 0.84 DHFR (0.39) HSP90AA1DHFRL3MBTL1MEN1KMT2A
SCHEMBL4107841 0.81 ADORA2A (0.46) HSP90AA1ADORA2AMAPTDHFRKDM4E
SCHEMBL4108241 0.81 DHFR (0.47) MPOADORA2ADHFRKDM4E
SCHEMBL4114223 0.80 NOS1 (0.43) MPOTLR8TLR7NOS1DHFR
SCHEMBL4115581 0.79 NOS1 (0.41) MPOTLR8TLR7APPMAPT
SCHEMBL4097634 0.78 PDE4A (0.47) NOS1DHFRKDM4ENPC1RAB9A

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 HSP90AA1 4742/4885MPO 2952/4885ADORA2A 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.