SCHEMBL2618375

SCHEMBL2618375

NS(=O)(=O)c1ccc(-c2nc3cccnc3n2-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.53
SOS1 Q07889 1/20 0.49
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
IKBKB O14920 1/20 0.47
AKT1 P31749 5/20 0.44
CHEK2 O96017 1/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CA9 Q16790 4/20 0.42
CA12 O43570 3/20 0.42
ALDH1A1 P00352 3/20 0.42
AKT2 P31751 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA4 P22748 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL2618374 0.90 PTGS2 (0.58) PTGS2CA1CA2AKT1GAA
SCHEMBL10051747 0.90 PTGS2 (0.57) PTGS2CA1CA2AKT1GAA
SCHEMBL2602412 0.85 AKT1 (0.58) PTGS2CA1CA2AKT1GAA
SCHEMBL2618376 0.85 PTGS2 (0.53) PTGS2CA1CA2IKBKBAKT1
SCHEMBL2618379 0.85 PTGS2 (0.53) PTGS2CA1CA2AKT1GAA
SCHEMBL2618377 0.85 PTGS2 (0.53) PTGS2CA1CA2AKT1GAA
SCHEMBL2618370 0.85 PTGS2 (0.52) PTGS2CA1CA2AKT1CA9
SCHEMBL497335 0.84 PTGS2 (0.73) PTGS2SOS1CA1CA2IKBKB
SCHEMBL3439921 0.80 PTGS2 (0.57) PTGS2SOS1CA1CA2IKBKB
SCHEMBL2618386 0.78 PTGS2 (0.47) PTGS2CA1CA2AKT1GAA

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-8334302-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyridine compounds SPELMAN COLLEGE (US) 2012-12-18 US disclosed
US-8334302-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyridine compounds SPELMAN COLLEGE (US) 2012-12-18 US disclosed
US-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 US disclosed
US-20120095037-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-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP PTGS2 734/4885SOS1 3551/4885CA1 4060/4885

“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.