SCHEMBL5114566

SCHEMBL5114566

CS(=O)(=O)Nc1ccc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(F)cc4)ccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.46
PTGS1 P23219 2/20 0.46
MAPT P10636 3/20 0.38
SLC6A3 Q01959 2/20 0.38
TP53 P04637 3/20 0.38
ADORA2A P29274 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SGK1 O00141 2/20 0.37
GHSR Q92847 1/20 0.37
GPR39 O43194 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTNNB1 P35222 2/20 0.37
TCF7L2 Q9NQB0 2/20 0.37

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
SCHEMBL5115971 0.88 MAPT (0.46) PTGS2PTGS1MAPTTP53ADORA2A
SCHEMBL5112341 0.85 PTGS2 (0.48) PTGS2PTGS1MAPTTP53ADORA2A
SCHEMBL15698681 0.84 TP53 (0.42) PTGS2PTGS1MAPTTP53ADORA2A
SCHEMBL5122195 0.83 CTNNB1 (0.42) PTGS2PTGS1CTNNB1TCF7L2
SCHEMBL5122262 0.82 TP53 (0.38) PTGS2PTGS1MAPTTP53ADORA2A
SCHEMBL5112273 0.81 LRRK2 (0.41) PTGS2PTGS1MAPTTP53ADORA2A
SCHEMBL5121288 0.81 SGK1 (0.43) PTGS2PTGS1MAPTSGK1GHSR
SCHEMBL5120754 0.81 LRRK2 (0.41) PTGS2PTGS1MAPTTP53ADORA2A
SCHEMBL5108981 0.81 CYP1A2 (0.43) PTGS2PTGS1MAPTTP53TDP1
SCHEMBL12611636 0.81 PTGS2 (0.41) PTGS2PTGS1MAPTTP53ADORA2A

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 930/4885MAPT 3290/4885

“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.