SCHEMBL2890730

SCHEMBL2890730

CS(=O)(=O)c1ccc(CNCc2ccc(-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.51
AKT1 P31749 13/20 0.46
AKT2 P31751 5/20 0.46
PTGS2 P35354 2/20 0.45
KCNH2 Q12809 4/20 0.44

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
SCHEMBL2896812 0.90 JAK2 (0.51) JAK2AKT1AKT2KCNH2
SCHEMBL2893852 0.87 JAK2 (0.55) JAK2AKT1AKT2KCNH2
SCHEMBL2890607 0.86 JAK2 (0.53) JAK2AKT1AKT2KCNH2
SCHEMBL5528216 0.86 JAK2 (0.54) JAK2AKT1AKT2KCNH2
SCHEMBL2898847 0.86 JAK2 (0.54) JAK2AKT1AKT2KCNH2
SCHEMBL2897765 0.85 JAK2 (0.52) JAK2AKT1AKT2KCNH2
SCHEMBL2893767 0.85 JAK2 (0.52) JAK2AKT1AKT2KCNH2
SCHEMBL2890158 0.84 CA1 (0.53) JAK2AKT1AKT2KCNH2
SCHEMBL2890411 0.83 JAK2 (0.50) JAK2AKT1AKT2KCNH2
SCHEMBL2893892 0.83 JAK2 (0.50) JAK2AKT1AKT2KCNH2

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-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US claimed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US claimed
EP-1737861-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-01-03 EP claimed
WO-2005100356-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2005-10-27 WO claimed
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
EP-1737861-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2005100356-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2005-10-27 WO 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-20080280899-A1 Inhibitors of Akt Activity AKT1, AKT2, AKT3 JAK2 430/4885AKT1 1/4885AKT2 2/4885

“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.