SCHEMBL2897546

SCHEMBL2897546

N#Cc1ncc2cc(-c3ccccc3)c(O)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
ADORA1 P30542 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
PIM1 P11309 1/20 0.37
CTSK P43235 2/20 0.37
CTSS P25774 1/20 0.37
ADORA2A P29274 2/20 0.36
MAPK1 P28482 1/20 0.36
FGFR1 P11362 2/20 0.36
SRC P12931 2/20 0.36
EGFR P00533 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
USP7 Q93009 1/20 0.35

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
SCHEMBL2890611 0.83 NPSR1 (0.43) AKT1AKT2ADORA1KMT2AL3MBTL1
SCHEMBL13263613 0.83 CYP1A2 (0.50) AKT1AKT2ADORA1L3MBTL1CTSK
SCHEMBL8130186 0.78 ADORA1 (0.55) ADORA1KMT2AADORA2AFGFR1SRC
SCHEMBL13263611 0.78 ADORA1 (0.38) ADORA1KMT2AADORA2AFGFR1SRC
SCHEMBL2899390 0.75 AKT1 (0.46) AKT1AKT2ADORA1CTSKADORA2A
SCHEMBL2893433 0.74 AKT1 (0.51) AKT1AKT2KMT2AMEN1
SCHEMBL13233231 0.74 FGFR1 (0.36) ADORA1KMT2AMEN1ADORA2AFGFR1
SCHEMBL2890487 0.73 PTGS2 (0.43) ADORA1KMT2AL3MBTL1MEN1PIM1
SCHEMBL13233227 0.72 FGFR1 (0.37) AKT1AKT2ADORA1KMT2APIM1
SCHEMBL14629285 0.71 ALDH1A1 (0.45) KMT2AMEN1CTSKCTSSPDGFRB

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 13 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
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-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
EP-1784175-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-05-16 EP disclosed
EP-1737861-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2006036395-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-04-06 WO 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 (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.