SCHEMBL3439924

SCHEMBL3439924

NS(=O)(=O)c1ccc(-c2nc3ccncc3n2-c2ccc(Nc3ccccc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.57
▸ AOC3 Q16853 9/20 0.49
▸ KCNH2 Q12809 2/20 0.49
▸ PLK1 P53350 1/20 0.47
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA12 O43570 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ IKBKB O14920 2/20 0.44
▸ AOC2 O75106 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41

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
SCHEMBL3439929 0.90 PTGS2 (0.63) PTGS2AOC3KCNH2CA1CA2
SCHEMBL3439921 0.85 PTGS2 (0.57) PTGS2AOC3KCNH2CA1CA2
SCHEMBL3439926 0.85 PTGS2 (0.57) PTGS2AOC3KCNH2CA1CA2
SCHEMBL3439920 0.85 PTGS2 (0.57) PTGS2AOC3KCNH2CA1CA2
SCHEMBL3439931 0.85 PTGS2 (0.58) PTGS2AOC3KCNH2CA1CA2
SCHEMBL3439918 0.83 PTGS2 (0.56) PTGS2AOC3KCNH2CA1CA2
SCHEMBL3439923 0.81 ATR (0.47) PTGS2AOC3
SCHEMBL2618376 0.80 PTGS2 (0.53) PTGS2PLK1CA1CA2CA12
SCHEMBL3439937 0.78 PTGS2 (0.50) PTGS2AOC3KCNH2CA1CA2
SCHEMBL497082 0.77 PTGS2 (0.81) PTGS2CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329728-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-c]pyridine compounds SPELMAN COLLEGE (US) 2012-12-11 — — US disclosed
US-8329728-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-c]pyridine compounds SPELMAN COLLEGE (US) 2012-12-11 — — US disclosed
US-20120095038-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 — — US disclosed
US-20120095038-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 — — 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-20120095038-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP PTGS2 780/4885AOC3 2561/4885KCNH2 3136/4885

“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.

Send feedback