SCHEMBL823634

SCHEMBL823634

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
DHFR P00374 1/20 0.46
NPC1 O15118 1/20 0.41
JAK2 O60674 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
TYRO3 Q06418 1/20 0.40
MAP4K4 O95819 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AKT1 P31749 1/20 0.38
GRIA2 P42262 2/20 0.38

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
SCHEMBL823663 0.91 DHFR (0.54) KDM1ADHFRNPC1JAK2RAB9A
SCHEMBL823645 0.89 DHFR (0.48) KDM1ADHFRNPC1JAK2RAB9A
SCHEMBL823659 0.86 DHFR (0.44) KDM1ADHFRNPC1JAK2RAB9A
SCHEMBL823636 0.85 DHFR (0.45) KDM1ADHFRNPC1JAK2RAB9A
SCHEMBL823707 0.84 MAPT (0.51) DHFRNPC1RAB9AMAPTLMNA
SCHEMBL823669 0.82 SYK (0.43) DHFRMAPTLMNAPOLBALDH1A1
SCHEMBL823769 0.81 DHFR (0.40) KDM1ADHFRNPC1JAK2RAB9A
SCHEMBL823710 0.81 NR3C2 (0.48) DHFRNPC1JAK2RAB9AMAPT
SCHEMBL823753 0.79 MAP4K4 (0.48) NPC1RAB9AMAPTLMNAPOLB
SCHEMBL823709 0.78 DHFR (0.43) DHFRMAPTLMNAALDH1A1TP53

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 KDM1A 3870/4885DHFR 32/4885NPC1 3135/4885

“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.