SCHEMBL4100875

SCHEMBL4100875

CCCc1nc(N)nc2ccc(-c3ccc(C(=O)OC)c(OC)c3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
DHODH Q02127 1/20 0.41
DHFR P00374 2/20 0.40
MTOR P42345 1/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
MAPK1 P28482 2/20 0.38
PIK3CA P42336 2/20 0.38
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 2/20 0.38
PLA2G2A P14555 3/20 0.38
CHEK1 O14757 1/20 0.37
NOS1 P29475 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 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
SCHEMBL4102097 0.89 GAA (0.41) PDE4APDE4BPDE4CPDE4DDHFR
SCHEMBL4100916 0.85 DHODH (0.45) PDE4APDE4BPDE4CPDE4DDHODH
SCHEMBL4107041 0.84 GAA (0.42) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4106840 0.84 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DDHFR
SCHEMBL4109882 0.83 TLR8 (0.48) DHFRTLR8TLR7MAPK1SMN1; SMN2
SCHEMBL4095683 0.82 DHFR (0.51) DHFRTLR8TLR7NPC1RAB9A
SCHEMBL4101913 0.81 TLR8 (0.47) TLR8TLR7MEN1KMT2AHSD17B10
SCHEMBL4097136 0.81 DHODH (0.48) PDE4APDE4BPDE4CPDE4DDHODH
SCHEMBL4102852 0.81 DHFR (0.49) DHFRTLR8
SCHEMBL4097762 0.81 ABL1 (0.42) PDE4APDE4BPDE4CPDE4DMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
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 PDE4A 621/4885PDE4B 917/4885PDE4C 854/4885

“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.