SCHEMBL5116062

SCHEMBL5116062

CS(=O)(=O)CCNc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.46
PTGS1 P23219 1/20 0.46
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
NTRK1 P04629 1/20 0.39
MAPT P10636 4/20 0.38
GAA P10253 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
TP53 P04637 3/20 0.38
ADORA2A P29274 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GHSR Q92847 1/20 0.37
LATS1 O95835 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 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
SCHEMBL5121996 0.93 PTGS2 (0.46) PTGS2PTGS1TLR8TLR7MAPT
SCHEMBL5121576 0.92 PTGS2 (0.40) PTGS2PTGS1TLR8TLR7CTNNB1
SCHEMBL5114595 0.86 TLR8 (0.38) PTGS2PTGS1TLR8TLR7NTRK1
SCHEMBL8252450 0.86 ACHE (0.39) TLR8TLR7ADORA2ALATS1SMN1; SMN2
SCHEMBL5121413 0.83 MAP4K4 (0.47) PTGS2PTGS1TLR8TLR7NTRK1
SCHEMBL5109456 0.83 IP6K1 (0.45) PTGS2PTGS1TLR8TLR7NTRK1
SCHEMBL5116290 0.81 CA1 (0.41) PTGS2PTGS1MAPT
SCHEMBL5112682 0.81 CA2 (0.44) PTGS2PTGS1MAPTCCNE1CDK2
SCHEMBL5110553 0.81 TLR8 (0.39) PTGS2PTGS1TLR8TLR7MAPT
SCHEMBL5115264 0.81 CA2 (0.55) PTGS2PTGS1MAPT

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 930/4885TLR8 2289/4885

“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.