SCHEMBL5115650

SCHEMBL5115650

N#CC1(Nc2nc(NCc3ccc(S(N)(=O)=O)cc3)nc3ccc(-c4ccc(F)cc4)nc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.41
PTGS1 P23219 1/20 0.39
CA2 P00918 15/20 0.39
CA9 Q16790 14/20 0.39
CA1 P00915 14/20 0.39
CA12 O43570 5/20 0.39
CA14 Q9ULX7 3/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
CA7 P43166 2/20 0.37
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA13 Q8N1Q1 1/20 0.36

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
SCHEMBL1793680 0.86 CA1 (0.41) CA2CA9CA1CA12CA14
SCHEMBL1789116 0.85 PTGS2 (0.45) PTGS2PTGS1CA2CA9CA1
SCHEMBL1793830 0.84 PTGS2 (0.44) PTGS2PTGS1CA2CA9CA1
SCHEMBL1792764 0.84 PTGS2 (0.44) PTGS2PTGS1CA2CA9CA1
SCHEMBL1791571 0.83 PTGS2 (0.43) PTGS2PTGS1CA2CA9CA1
SCHEMBL5115264 0.82 CA2 (0.55) PTGS2PTGS1CA2CA9CA1
SCHEMBL5107326 0.81 PTGS2 (0.43) PTGS2PTGS1CA2CA9CA1
SCHEMBL5112341 0.81 PTGS2 (0.48) PTGS2PTGS1CA2CA9CA1
SCHEMBL5112682 0.81 CA2 (0.44) PTGS2PTGS1CA2CA9CA1
SCHEMBL5114436 0.81 PTGS2 (0.44) PTGS2PTGS1CA2CA9CA1

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 PTGS2 1073/4885PTGS1 930/4885CA2 4444/4885

“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.