SCHEMBL2890654

SCHEMBL2890654

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.48
AKT2 P31751 13/20 0.48
ADORA1 P30542 3/20 0.40
ADORA2A P29274 2/20 0.40
EGFR P00533 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
CHEK2 O96017 1/20 0.37
MKNK1 Q9BUB5 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
SCHEMBL13263614 0.86 AKT1 (0.50) AKT1AKT2ADORA1ADORA2AEGFR
SCHEMBL13233222 0.83 AKT1 (0.55) AKT1AKT2EGFRPDGFRBFGFR1
SCHEMBL13800291 0.81 AKT1 (0.42) AKT1AKT2ADORA1ADORA2A
SCHEMBL2896614 0.79 AKT1 (0.60) AKT1AKT2
SCHEMBL2899390 0.78 AKT1 (0.46) AKT1AKT2ADORA1ADORA2A
SCHEMBL13233226 0.78 AKT1 (0.41) AKT1AKT2ADORA1ADORA2A
SCHEMBL2897996 0.77 AKT1 (0.65) AKT1AKT2EGFRPDGFRBFGFR1
SCHEMBL2897744 0.76 AKT1 (0.50) AKT1AKT2
SCHEMBL2896561 0.75 AKT1 (0.78) AKT1AKT2EGFRPDGFRBFGFR1
SCHEMBL3903226 0.74 AKT1 (0.55) AKT1AKT2

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 15 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 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
EP-1784175-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-07-22 EP disclosed
US-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 US disclosed
US-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 US disclosed
US-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 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
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
EP-1784175-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-05-16 EP disclosed
WO-2006036395-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-04-06 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 (2 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 2/4885ADORA1 1811/4885
US-20070254901-A1 Inhibitors of Akt Activity AKT1, AKT2, PIK3CD AKT1 1/4885AKT2 2/4885ADORA1 970/4885

“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.