SCHEMBL823769

SCHEMBL823769

CCOc1nc(N)nc2ccc(-c3cccc(NS(=O)(=O)C4CCS(=O)(=O)C4)c3)nc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.40
TYRO3 Q06418 6/20 0.36
KDM1A O60341 2/20 0.36
PIK3CG P48736 2/20 0.36
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
RAB9A P51151 1/20 0.36
MAP4K4 O95819 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSP90AA1 P07900 2/20 0.35
THRB P10828 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
PRMT6 Q96LA8 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL823636 0.90 DHFR (0.45) DHFRTYRO3KDM1ANPC1JAK2
SCHEMBL823663 0.83 DHFR (0.54) DHFRTYRO3KDM1ANPC1JAK2
SCHEMBL823645 0.82 DHFR (0.48) DHFRTYRO3KDM1ANPC1JAK2
SCHEMBL823634 0.81 KDM1A (0.46) DHFRTYRO3KDM1ANPC1JAK2
SCHEMBL823659 0.77 DHFR (0.44) DHFRTYRO3KDM1ANPC1JAK2
SCHEMBL823707 0.77 MAPT (0.51) DHFRNPC1RAB9ATP53LMNA
SCHEMBL823669 0.75 SYK (0.43) DHFRTP53LMNAALDH1A1THRB
SCHEMBL14131394 0.74 CA1 (0.46) TP53LMNAALDH1A1MAPTPOLB
SCHEMBL823710 0.74 NR3C2 (0.48) DHFRNPC1JAK2RAB9ATP53
SCHEMBL14131734 0.74 MAP2K4 (0.42) MAP4K4TP53LMNAALDH1A1MAPT

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 4 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-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 DHFR 32/4885TYRO3 1706/4885KDM1A 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.