SCHEMBL823645

SCHEMBL823645

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HSP90AA1 P07900 2/20 0.48
THRB P10828 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM1A O60341 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
JAK2 O60674 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
TYRO3 Q06418 1/20 0.41
MEN1 O00255 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAP4K4 O95819 1/20 0.41

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 0.94 DHFR (0.54) DHFRLMNAALDH1A1HSP90AA1THRB
SCHEMBL823659 0.91 DHFR (0.44) DHFRLMNAALDH1A1HSP90AA1THRB
SCHEMBL823634 0.89 KDM1A (0.46) DHFRLMNAALDH1A1HSP90AA1THRB
SCHEMBL823636 0.88 DHFR (0.45) DHFRLMNAALDH1A1THRBKDM1A
SCHEMBL823711 0.87 ALDH1A1 (0.42) DHFRALDH1A1THRBHPGDNPC1
SCHEMBL823707 0.87 MAPT (0.51) DHFRLMNAALDH1A1HSP90AA1THRB
SCHEMBL823669 0.84 SYK (0.43) DHFRLMNAALDH1A1THRBSMN1; SMN2
SCHEMBL823710 0.83 NR3C2 (0.48) DHFRLMNAALDH1A1NPSR1NPC1
SCHEMBL823769 0.82 DHFR (0.40) DHFRLMNAALDH1A1HSP90AA1THRB
SCHEMBL823668 0.81 MAPT (0.42) DHFRLMNAALDH1A1HPGDNPC1

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 5 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
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 32/4885LMNA 3578/4885ALDH1A1 1484/4885

“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.