SCHEMBL5114873

SCHEMBL5114873

NS(=O)(=O)c1ccc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(F)c(S(=O)(=O)N5CCNCC5)c4)ccc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
IKBKB O14920 8/20 0.39
CHUK O15111 6/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
IKBKE Q14164 2/20 0.33
TBK1 Q9UHD2 2/20 0.33
STK17B O94768 1/20 0.33
CSF1R P07333 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
LRRK2 Q5S007 1/20 0.33
ULK3 Q6PHR2 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
SCHEMBL5121289 0.90 MAPT (0.40) CA1CA2CA9PTGS2KDM4E
SCHEMBL5116059 0.88 PTGS2 (0.45) CA1CA2CA9PTGS2KDM4E
SCHEMBL5121181 0.87 DNMT3A (0.41) CA1CA2PTGS2
SCHEMBL5123216 0.86 PTGS2 (0.38) CA1CA2CA9PTGS2KDM4E
SCHEMBL1794704 0.86 PTGS2 (0.43) CA1CA2CA9PTGS2KDM4E
SCHEMBL5112750 0.84 PTGS2 (0.44) CA1CA2CA9PTGS2KDM4E
SCHEMBL14131434 0.83 PTGS2 (0.37) CA1CA2CA9PTGS2KDM4E
SCHEMBL5111605 0.83 PTGS2 (0.37) CA1CA2CA9PTGS2KDM4E
SCHEMBL5116734 0.82 KDM4E (0.40) CA1CA2CA9PTGS2KDM4E
SCHEMBL5116201 0.82 PTGS2 (0.44) CA1CA2CA9PTGS2KDM4E

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 CA1 4802/4885CA2 4444/4885CA9 4708/4885

“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.