SCHEMBL5116014

SCHEMBL5116014

NS(=O)(=O)c1ccc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(Cl)c(S(=O)(=O)NCCN5CCCC5)c4)ccc3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PTGS2 P35354 1/20 0.37
SRC P12931 7/20 0.36
ABL1 P00519 6/20 0.36
SLC2A1 P11166 4/20 0.36
PDGFRB P09619 3/20 0.36
MAPT P10636 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
YES1 P07947 2/20 0.35
EPHB4 P54760 2/20 0.35

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
SCHEMBL5115265 0.87 PIK3CD (0.39) CA1CA2CA9PTGS2MAPT
SCHEMBL5116201 0.86 PTGS2 (0.44) CA1CA2CA9PTGS2MAPT
SCHEMBL5123323 0.82 PTGS2 (0.37) CA1CA2CA9PTGS2MAPT
SCHEMBL5116734 0.82 KDM4E (0.40) CA1CA2CA9PTGS2MAPT
SCHEMBL5123047 0.82 KDM4E (0.39) CA1CA2CA9PTGS2MAPT
SCHEMBL14131808 0.81 PTGS2 (0.36) CA1CA2CA9PTGS2MAPT
SCHEMBL5115724 0.81 PTGS2 (0.36) CA1CA2CA9PTGS2MAPT
SCHEMBL5112750 0.80 PTGS2 (0.44) CA1CA2CA9PTGS2MAPT
SCHEMBL5116059 0.79 PTGS2 (0.45) CA1CA2CA9PTGS2MAPT
SCHEMBL5115921 0.79 DNMT3A (0.44)

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.