SCHEMBL5121741

SCHEMBL5121741

NS(=O)(=O)c1ccc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(N5CCCC5=O)cc4)ccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
PTGS2 P35354 1/20 0.41
CA1 P00915 10/20 0.38
CA2 P00918 10/20 0.38
CA9 Q16790 10/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
CA12 O43570 2/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
SYK P43405 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL5116243 0.86 PTGS2 (0.41) PTGS2CA1CA2CA9KDM4E
SCHEMBL5121965 0.85 PTGS2 (0.48) PTGS2CA1CA2CA9KDM4E
SCHEMBL5112341 0.83 PTGS2 (0.48) PTGS2CA1CA2CA9KDM4E
SCHEMBL5115285 0.83 PTGS2 (0.48) PTGS2CA1CA2CA9KDM4E
SCHEMBL1791314 0.83 PTGS2 (0.48) PTGS2CA1CA2CA9KDM4E
SCHEMBL5121534 0.83 PTGS2 (0.48) PTGS2CA1CA2CA9KDM4E
SCHEMBL5121961 0.81 PTGS2 (0.46) PTGS2CA1CA2CA9KDM4E
SCHEMBL5115482 0.81 PTGS2 (0.46) PTGS2CA1CA2CA9KDM4E
SCHEMBL5123116 0.80 CA1 (0.43) PTGS2CA1CA2CA9KDM4E
SCHEMBL5110862 0.80 CA1 (0.47) PTGS2CA1CA2CA9KDM4E

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 USP2 4344/4885PTGS2 1073/4885CA1 4802/4885

“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.