SCHEMBL823684

SCHEMBL823684

Nc1nc(N2CCS(=O)(=O)CC2)c2nc(-c3ccc(C(=O)NC4CC4)cc3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.51
MKNK2 Q9HBH9 6/20 0.51
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAP4K4 O95819 1/20 0.40
ATR Q13535 3/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SMYD3 Q9H7B4 2/20 0.38
FYN P06241 1/20 0.38
MAPK14 Q16539 1/20 0.38
TTK P33981 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
SCHEMBL823698 0.88 MKNK1 (0.52) MKNK1MKNK2PDE4APDE4BPDE4C
SCHEMBL823641 0.80 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4513924 0.80 HRH4 (0.42) PDE4APDE4BPDE4CPDE4DMAPK14
SCHEMBL823782 0.78 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL4106425 0.78 PI4KB (0.58) MKNK1MKNK2PDE4APDE4BPDE4C
SCHEMBL823679 0.77 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL823729 0.77 PDE4A (0.50) MKNK1MKNK2PDE4APDE4BPDE4C
SCHEMBL823731 0.76 MKNK1 (0.47) MKNK1MKNK2MAP4K4ATRMEN1
SCHEMBL823813 0.74 MKNK1 (0.45) MKNK1MKNK2MAP4K4ATRMEN1
SCHEMBL826358 0.74 MKNK1 (0.45) MKNK1MKNK2MAP4K4ATRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US claimed
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-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
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US 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 MKNK1 3271/4885MKNK2 3173/4885PDE4A 1300/4885

“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.