SCHEMBL823672

SCHEMBL823672

Nc1nc(N2CCS(=O)(=O)CC2)c2nc(Cl)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.44
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KCNH2 Q12809 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
HRH1 P35367 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL4527871 0.83 HRH4 (0.63) HRH4HRH3KCNH2
SCHEMBL11888735 0.83 LMNA (0.47) HRH4LMNA
SCHEMBL3922884 0.81 HRH4 (0.48) HRH4HRH3KCNH2HRH1
SCHEMBL823685 0.81 MAPT (0.49) HRH4PIK3CAMTOR
SCHEMBL31113447 0.81 CNR1 (0.45) HRH4CNR1CNR2LMNAPIK3CA
SCHEMBL4525875 0.78 PDE4A (0.46) HRH4PDE4APDE4BPDE4CPDE4D
SCHEMBL4513924 0.78 HRH4 (0.42) HRH4PDE4APDE4BPDE4CPDE4D
SCHEMBL845973 0.77 DHFR (0.56) HRH4
SCHEMBL8146567 0.76 HRH4 (0.51) HRH4HRH3KCNH2HRH1
SCHEMBL3921055 0.76 PI4KB (0.48) HRH4PDE4APDE4BPDE4CPDE4D

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-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
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 HRH4 1956/4885PDE4A 1300/4885PDE4B 1595/4885

“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.