SCHEMBL5123071

SCHEMBL5123071

NS(=O)(=O)c1ccc(CNc2nc(NCC(F)(F)F)c3nc(-n4cncn4)ccc3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
CA1 P00915 13/20 0.42
CA2 P00918 13/20 0.42
CA9 Q16790 13/20 0.42
CA12 O43570 2/20 0.40
CA14 Q9ULX7 2/20 0.40
PTGS2 P35354 1/20 0.38
STK17B O94768 1/20 0.37
CSF1R P07333 1/20 0.37
IKBKE Q14164 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
LRRK2 Q5S007 1/20 0.37
ULK3 Q6PHR2 1/20 0.37
NUAK2 Q9H093 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
PDE5A O76074 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
SCHEMBL5107209 0.84 KDM4E (0.43) KDM4EMAPTNPC1CA1CA2
SCHEMBL14131752 0.84 CA1 (0.45) KDM4EMAPTNPC1CA1CA2
SCHEMBL5122638 0.81 CA1 (0.46) KDM4EMAPTNPC1CA1CA2
SCHEMBL4574082 0.80 CA9 (0.52) KDM4EMAPTNPC1CA1CA2
SCHEMBL1789832 0.78 CA1 (0.46) KDM4EMAPTNPC1CA1CA2
SCHEMBL1790309 0.77 KDM4E (0.36) KDM4EMAPTNPC1CA1CA2
SCHEMBL12652038 0.76 CA1 (0.47) KDM4EMAPTNPC1CA1CA2
SCHEMBL5121965 0.76 PTGS2 (0.48) KDM4EMAPTNPC1CA1CA2
SCHEMBL5112341 0.76 PTGS2 (0.48) KDM4EMAPTNPC1CA1CA2
SCHEMBL5107800 0.76 CA1 (0.43) KDM4EMAPTNPC1CA1CA2

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 KDM4E 3976/4885MAPT 3290/4885NPC1 2244/4885

“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.