SCHEMBL2898754

SCHEMBL2898754

O=c1[nH]ccc2nc(-c3ccc(CNCc4ccc(N5CCOCC5)cc4)cc3)c(-c3ccccc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 0.59
AKT2 P31751 5/20 0.49
ZAP70 P43403 1/20 0.48
JAK2 O60674 1/20 0.48
KCNH2 Q12809 4/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDGFRB P09619 1/20 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
SCHEMBL2897756 0.88 AKT1 (0.52) AKT1AKT2JAK2KCNH2
SCHEMBL2897866 0.86 AKT1 (0.51) AKT1AKT2JAK2KCNH2
SCHEMBL2893868 0.86 AKT1 (0.53) AKT1AKT2JAK2KCNH2
SCHEMBL2893852 0.83 JAK2 (0.55) AKT1AKT2JAK2KCNH2
SCHEMBL5528216 0.83 JAK2 (0.54) AKT1AKT2JAK2KCNH2
SCHEMBL2898847 0.83 JAK2 (0.54) AKT1AKT2JAK2KCNH2
SCHEMBL2897558 0.82 JAK2 (0.50) AKT1AKT2JAK2KCNH2KDM4E
SCHEMBL2890607 0.81 JAK2 (0.53) AKT1AKT2JAK2KCNH2
SCHEMBL2894459 0.81 JAK2 (0.48) AKT1AKT2JAK2KCNH2KDM4E
SCHEMBL2898953 0.80 JAK2 (0.52) AKT1AKT2JAK2KCNH2

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 6 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
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 2/4885ZAP70 602/4885

“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.