SCHEMBL1790347

SCHEMBL1790347

NS(=O)(=O)c1cc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(F)cc4)ccc3n2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.40
PTGS1 P23219 1/20 0.40
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
ADORA2A P29274 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
SGK1 O00141 2/20 0.35
KCNH2 Q12809 1/20 0.35
GRM2 Q14416 1/20 0.35
CA9 Q16790 1/20 0.34
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32
NTRK1 P04629 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL5108654 0.95 PTGS2 (0.40) PTGS2PTGS1TP53MAPTADORA2A
SCHEMBL1791393 0.93 PTGS2 (0.40) PTGS2PTGS1TP53MAPTADORA2A
SCHEMBL1792421 0.92 PTGS2 (0.42) PTGS2PTGS1TP53MAPTADORA2A
SCHEMBL1791278 0.91 TP53 (0.39) PTGS2PTGS1TP53MAPTADORA2A
SCHEMBL1790692 0.90 PTGS2 (0.42) PTGS2PTGS1TP53MAPTADORA2A
SCHEMBL12611636 0.90 PTGS2 (0.41) PTGS2PTGS1TP53MAPTADORA2A
SCHEMBL1791802 0.90 TP53 (0.39) PTGS2PTGS1TP53MAPTADORA2A
SCHEMBL1791079 0.89 MAPT (0.42) PTGS2PTGS1TP53MAPTADORA2A
SCHEMBL5116059 0.89 PTGS2 (0.45) PTGS2PTGS1MAPTCA9KDM4E
SCHEMBL5112341 0.87 PTGS2 (0.48) PTGS2PTGS1TP53MAPTADORA2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US claimed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 US claimed
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US disclosed
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US disclosed
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US disclosed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 US disclosed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 US disclosed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 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-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, CYP2S1, DPYD PTGS2 491/4885PTGS1 598/4885TP53 871/4885

“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.