SCHEMBL4097669

SCHEMBL4097669

CCCc1nc(N)nc2ccc(-c3cccc(NS(C)(=O)=O)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
JAK2 O60674 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HSP90AA1 P07900 3/20 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
TYRO3 Q06418 1/20 0.45
DHFR P00374 1/20 0.45
HSP90AB1 P08238 2/20 0.43
KDM1A O60341 1/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
ATR Q13535 2/20 0.42
PTK2 Q05397 1/20 0.42
MAP4K4 O95819 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 3/20 0.42

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
SCHEMBL4103286 0.87 SREBF1 (0.43) JAK2ALDH1A1HSP90AA1LMNAKDM4E
SCHEMBL4096116 0.85 ALDH1A1 (0.49) NPC1RAB9AJAK2ALDH1A1HSP90AA1
SCHEMBL4101657 0.85 MAP4K4 (0.42) MAP4K4
SCHEMBL823663 0.83 DHFR (0.54) NPC1RAB9AJAK2ALDH1A1HSP90AA1
SCHEMBL4107050 0.81 ALDH1A1 (0.54) NPC1RAB9AJAK2ALDH1A1HSP90AA1
SCHEMBL4102648 0.80 ALDH1A1 (0.48) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL823722 0.79 NPC1 (0.46) NPC1RAB9AJAK2ALDH1A1HSP90AA1
SCHEMBL4097545 0.79 MAP4K4 (0.44) DHFRMAP4K4
SCHEMBL4101142 0.79 MAP4K4 (0.44) DHFRMAP4K4
SCHEMBL4095683 0.79 DHFR (0.51) NPC1RAB9AHTTDHFRMAP4K4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD NPC1 1907/4885RAB9A 3470/4885JAK2 1750/4885

“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.