SCHEMBL823663

SCHEMBL823663

CCOc1nc(N)nc2ccc(-c3cccc(NS(C)(=O)=O)c3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.54
NPC1 O15118 1/20 0.50
JAK2 O60674 1/20 0.50
RAB9A P51151 1/20 0.50
TYRO3 Q06418 1/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSP90AA1 P07900 4/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
KDM1A O60341 1/20 0.45
ATR Q13535 2/20 0.45

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
SCHEMBL823645 0.94 DHFR (0.48) DHFRNPC1JAK2RAB9ATYRO3
SCHEMBL823634 0.91 KDM1A (0.46) DHFRNPC1JAK2RAB9ATYRO3
SCHEMBL823636 0.89 DHFR (0.45) DHFRNPC1JAK2RAB9ATYRO3
SCHEMBL823707 0.89 MAPT (0.51) DHFRNPC1RAB9AALDH1A1HSD17B10
SCHEMBL823659 0.89 DHFR (0.44) DHFRNPC1JAK2RAB9ATYRO3
SCHEMBL823709 0.87 DHFR (0.43) DHFRALDH1A1TP53MAPK1HSP90AA1
SCHEMBL823669 0.86 SYK (0.43) DHFRALDH1A1TSHRTP53MAPK1
SCHEMBL823710 0.85 NR3C2 (0.48) DHFRNPC1JAK2RAB9AALDH1A1
SCHEMBL3757110 0.84 NPC1 (0.55) DHFRNPC1JAK2RAB9ATYRO3
SCHEMBL823769 0.83 DHFR (0.40) DHFRNPC1JAK2RAB9ATYRO3

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 8 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
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 DHFR 32/4885NPC1 3135/4885JAK2 885/4885

“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.