SCHEMBL2897756

SCHEMBL2897756

O=c1[nH]ccc2nc(-c3ccc(CNCCN4CCOCC4)cc3)c(-c3ccccc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.52
AKT2 P31751 4/20 0.49
KCNH2 Q12809 3/20 0.48
JAK2 O60674 1/20 0.46
PARP1 P09874 1/20 0.46

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
SCHEMBL2897866 0.95 AKT1 (0.51) AKT1AKT2KCNH2JAK2PARP1
SCHEMBL2894157 0.88 AKT1 (0.54) AKT1AKT2KCNH2JAK2
SCHEMBL2898754 0.88 AKT1 (0.59) AKT1AKT2KCNH2JAK2
SCHEMBL2894322 0.86 AKT1 (0.49) AKT1AKT2KCNH2JAK2
SCHEMBL2896659 0.81 AKT1 (0.54) AKT1AKT2KCNH2
SCHEMBL2897878 0.81 JAK2 (0.48) AKT1AKT2KCNH2JAK2
SCHEMBL2899122 0.81 JAK2 (0.54) AKT1AKT2KCNH2JAK2
SCHEMBL2890513 0.80 CD274 (0.50) AKT1AKT2KCNH2JAK2
SCHEMBL2893852 0.80 JAK2 (0.55) AKT1AKT2KCNH2JAK2
SCHEMBL2897840 0.80 JAK2 (0.46) AKT1AKT2KCNH2JAK2

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 AKT1 1/4885AKT2 2/4885KCNH2 4333/4885

“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.