SCHEMBL823722

SCHEMBL823722

CS(=O)(=O)CCNc1nc(N)nc2ccc(-c3cccc(NS(C)(=O)=O)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
JAK2 O60674 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 6/20 0.44
LMNA P02545 4/20 0.44
HSP90AA1 P07900 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
CYP1A2 P05177 9/20 0.44
CYP3A4 P08684 9/20 0.44
CLK4 Q9HAZ1 7/20 0.44
CYP2C19 P33261 6/20 0.44
USP2 O75604 4/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
CASP7 P55210 1/20 0.44
HTT P42858 1/20 0.44
TYRO3 Q06418 1/20 0.44
CYP2D6 P10635 5/20 0.43
TSHR P16473 3/20 0.43

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
SCHEMBL823602 0.90 PRMT6 (0.41) NPC1JAK2RAB9AALDH1A1LMNA
SCHEMBL4413009 0.89 MAP4K4 (0.43) TYRO3MAP4K4
SCHEMBL4413005 0.85 TLR8 (0.46) MAP4K4
SCHEMBL4107050 0.80 ALDH1A1 (0.54) NPC1JAK2RAB9AALDH1A1LMNA
SCHEMBL4097669 0.79 NPC1 (0.47) NPC1JAK2RAB9AALDH1A1LMNA
SCHEMBL823663 0.79 DHFR (0.54) NPC1JAK2RAB9AALDH1A1LMNA
SCHEMBL4096116 0.78 ALDH1A1 (0.49) NPC1JAK2RAB9AALDH1A1LMNA
SCHEMBL823619 0.76 TLR8 (0.40)
SCHEMBL823723 0.76 NPC1 (0.41) NPC1RAB9AALDH1A1GAAMEN1
SCHEMBL823727 0.75 TLR8 (0.39) NPC1RAB9AALDH1A1GAAMEN1

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 NPC1 3135/4885JAK2 885/4885RAB9A 3030/4885

“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.