SCHEMBL5122864

SCHEMBL5122864

CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cc(-c3ccc4nc(NCc5ccc(S(N)(=O)=O)cc5)nc(NCC(F)(F)F)c4n3)ccc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.40
ADORA2A P29274 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 2/20 0.36
DNMT3A Q9Y6K1 1/20 0.36
ENPP2 Q13822 2/20 0.34
EEF2K O00418 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
CLK2 P49760 1/20 0.34
GSK3B P49841 1/20 0.34
PRKX P51817 1/20 0.34
NEK4 P51957 1/20 0.34
PRKG2 Q13237 1/20 0.34
ROCK1 Q13464 1/20 0.34
PKN2 Q16513 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
AURKB Q96GD4 1/20 0.34
PBK Q96KB5 1/20 0.34
SLK Q9H2G2 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
SCHEMBL5115921 0.86 DNMT3A (0.44) DNMT3AENPP2EEF2KROCK2MAP4K4
SCHEMBL5116734 0.84 KDM4E (0.40) PTGS2MAPT
SCHEMBL5121181 0.82 DNMT3A (0.41) ADORA2BDNMT3AEEF2KROCK2MAP4K4
SCHEMBL5123047 0.81 KDM4E (0.39) PTGS2MAPT
SCHEMBL5115386 0.81 DNMT3A (0.46) DNMT3AEEF2KROCK2MAP4K4CLK2
SCHEMBL14131915 0.80 DNMT3A (0.43) ADORA2AADORA3ADORA2BDNMT3AEEF2K
SCHEMBL5114701 0.80 DNMT3A (0.43) ADORA2AADORA3ADORA2BDNMT3AEEF2K
SCHEMBL1792387 0.78 SYK (0.45) PTGS2MAPT
SCHEMBL5114873 0.78 CA1 (0.42) PTGS2MAPT
SCHEMBL5121289 0.78 MAPT (0.40) PTGS2MAPT

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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP NAMPT 106/4885ADORA2A 260/4885ADORA3 42/4885

“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.