SCHEMBL823736

SCHEMBL823736

CC(C)C(=O)Nc1ccc(-c2ccc3nc(N)nc(O[C@H]4CCOC4)c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 1/20 0.39
GRM4 Q14833 3/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
TTK P33981 1/20 0.38
NTRK1 P04629 1/20 0.37
FLT3 P36888 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
SLC2A1 P11166 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
LRRK2 Q5S007 1/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
PIK3CG P48736 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL826038 1.00 MOK (0.39) MOKGRM4MAPK8MAPK9TTK
SCHEMBL825714 0.88 GRM4 (0.38) GRM4MAPK8MAPK9NTRK1FLT3
SCHEMBL823789 0.88 GRM4 (0.38) GRM4MAPK8MAPK9NTRK1FLT3
SCHEMBL825711 0.82 JAK2 (0.45) GRM4MAPK8MAPK9PDE4APDE4B
SCHEMBL823651 0.82 JAK2 (0.45) GRM4MAPK8MAPK9PDE4APDE4B
SCHEMBL4421606 0.82 CHEK2 (0.40) GRM4MAPK8MAPK9PDE4APDE4B
SCHEMBL4421609 0.82 MTOR (0.38) GRM4MAPK8MAPK9LRRK2PIK3CA
SCHEMBL3609814 0.80 HDAC1 (0.39) GRM4LRRK2PIK3CAMTORPIK3CG
SCHEMBL13500401 0.80 HDAC1 (0.39) GRM4LRRK2PIK3CAMTORPIK3CG
SCHEMBL823654 0.80 NPC1 (0.42) MOKSLC2A1PDE4APDE4BPDE4C

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-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
WO-2008077649-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP MOK 4399/4885GRM4 3199/4885MAPK8 3434/4885

“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.