SCHEMBL5111605

SCHEMBL5111605

NS(=O)(=O)c1ccc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(F)c(S(=O)(=O)NC5CCNC5)c4)ccc3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
HDAC4 P56524 1/20 0.36
PIK3CA P42336 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
CCNK O75909 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33

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
SCHEMBL14131434 1.00 PTGS2 (0.37) PTGS2HDAC4PIK3CAALOX5APFEN1
SCHEMBL5123216 0.96 PTGS2 (0.38) PTGS2PIK3CAALOX5APFEN1CCNT1
SCHEMBL14131808 0.93 PTGS2 (0.36) PTGS2HDAC4PIK3CACCNKCDK7
SCHEMBL5115724 0.93 PTGS2 (0.36) PTGS2HDAC4PIK3CACCNKCDK7
SCHEMBL5123323 0.88 PTGS2 (0.37) PTGS2PIK3CACCNT1CDK9CA1
SCHEMBL5116059 0.85 PTGS2 (0.45) PTGS2CA1CA2CA9KDM4E
SCHEMBL5115386 0.83 DNMT3A (0.46)
SCHEMBL5114873 0.83 CA1 (0.42) PTGS2CCNT1CDK9CA1CA2
SCHEMBL1794704 0.83 PTGS2 (0.43) PTGS2CA1CA2CA9KDM4E
SCHEMBL14131915 0.82 DNMT3A (0.43)

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 2 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-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 PTGS2 1073/4885HDAC4 3964/4885PIK3CA 1550/4885

“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.