SCHEMBL1790309

SCHEMBL1790309

NS(=O)(=O)c1cc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(F)cc4)ccc3n2)cc(-n2cncn2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS2 P35354 6/20 0.35
PTGS1 P23219 2/20 0.35
TP53 P04637 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 4/20 0.32
ADORA2A P29274 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL1793422 0.89 KDM4E (0.38) KDM4ETSHRMAPK1HSD17B10PTGS2
SCHEMBL1790548 0.86 PTGS2 (0.41) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL1792108 0.85 TP53 (0.38) KDM4ETSHRMAPK1HSD17B10PTGS2
SCHEMBL5116589 0.85 KDM4E (0.38) KDM4ETSHRMAPK1HSD17B10PTGS2
SCHEMBL15255483 0.84 PTGS2 (0.40) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL1791995 0.84 PTGS2 (0.41) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL1791081 0.84 TP53 (0.41) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL5109646 0.82 NTRK1 (0.42) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL1791038 0.82 PTGS2 (0.38) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL5112341 0.82 PTGS2 (0.48) KDM4EPTGS2PTGS1TP53SMN1; SMN2

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 2 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

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 KDM4E 3849/4885TSHR 2245/4885MAPK1 2045/4885

“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.