SCHEMBL2897996

SCHEMBL2897996

NC(=O)c1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCC(=O)c4ccccc4)cc3)nc2n1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.65
AKT2 P31751 18/20 0.65
CD274 Q9NZQ7 1/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
PDGFRA P16234 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37

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
SCHEMBL2896561 0.90 AKT1 (0.78) AKT1AKT2CD274EGFRPDGFRB
SCHEMBL2897899 0.85 AKT1 (0.82) AKT1AKT2
SCHEMBL13263639 0.80 AKT1 (0.77) AKT1AKT2CD274
SCHEMBL13233222 0.80 AKT1 (0.55) AKT1AKT2EGFRPDGFRBFGFR1
SCHEMBL13233232 0.79 AKT1 (1.00) AKT1AKT2
SCHEMBL2890654 0.77 AKT1 (0.48) AKT1AKT2EGFRPDGFRBFGFR1
SCHEMBL13263614 0.77 AKT1 (0.50) AKT1AKT2EGFRPDGFRBFGFR1
SCHEMBL2894176 0.77 AKT1 (1.00) AKT1AKT2
SCHEMBL3840082 0.74 AKT1 (0.59) AKT1AKT2
SCHEMBL5532229 0.74 AKT1 (0.57) AKT1AKT2EGFRPDGFRBFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
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
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 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 2/4885CD274 3956/4885

“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.