SCHEMBL823636

SCHEMBL823636

CCOc1nc(N)nc2ccc(-c3cccc(NS(=O)(=O)C4CC4)c3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.45
PRMT6 Q96LA8 2/20 0.42
KDM1A O60341 2/20 0.41
TYRO3 Q06418 6/20 0.40
NPC1 O15118 1/20 0.40
JAK2 O60674 1/20 0.40
RAB9A P51151 1/20 0.40
MAP4K4 O95819 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 3/20 0.39
KIT P10721 1/20 0.39
MAP2K7 O14733 1/20 0.38
MAP2K4 P45985 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 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
SCHEMBL823769 0.90 DHFR (0.40) DHFRPRMT6KDM1ATYRO3NPC1
SCHEMBL823663 0.89 DHFR (0.54) DHFRKDM1ATYRO3NPC1JAK2
SCHEMBL823645 0.88 DHFR (0.48) DHFRKDM1ATYRO3NPC1JAK2
SCHEMBL823634 0.85 KDM1A (0.46) DHFRKDM1ATYRO3NPC1JAK2
SCHEMBL14131394 0.83 CA1 (0.46) PRMT6MAPTLMNAPOLBTP53
SCHEMBL823659 0.83 DHFR (0.44) DHFRKDM1ATYRO3NPC1JAK2
SCHEMBL823707 0.83 MAPT (0.51) DHFRNPC1RAB9AMAPTLMNA
SCHEMBL14131734 0.82 MAP2K4 (0.42) PRMT6MAP4K4MAPTLMNATP53
SCHEMBL823669 0.80 SYK (0.43) DHFRMAPTLMNAPOLBTP53
SCHEMBL823602 0.80 PRMT6 (0.41) PRMT6KDM1ATYRO3NPC1JAK2

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 DHFR 32/4885PRMT6 1258/4885KDM1A 3870/4885

“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.