SCHEMBL13439261

SCHEMBL13439261

CCc1nc2ncccc2nc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.34
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.31
TLR8 Q9NR97 1/20 0.30
P2RY1 P47900 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL13712689 0.94 KDM4E (0.34) MAPK14BCHEACHEALDH1A1POLB
SCHEMBL13712688 0.88 MAPK14 (0.33) MAPK14BCHEACHEALDH1A1POLB
SCHEMBL12134734 0.83 ALDH1A1 (0.40) MAPK14BCHEACHEALDH1A1POLB
SCHEMBL12132912 0.83 ALDH1A1 (0.40) MAPK14BCHEACHEALDH1A1KDM4E
SCHEMBL13712727 0.79 MAPK14 (0.33) MAPK14BCHEACHEALDH1A1POLB
SCHEMBL12134963 0.79 KDM4E (0.43) ALDH1A1POLBKDM4ENPC1MAPT
SCHEMBL12134965 0.74 PIK3CG (0.33)
SCHEMBL14425596 0.71 NQO2 (0.42) ALDH1A1POLBKDM4ENPC1MAPT
SCHEMBL12134729 0.71 ALDH1A1 (0.37) ALDH1A1POLBKDM4ENPC1MAPT
SCHEMBL22793039 0.71 NPSR1 (0.34) MAPK14BCHEACHEALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705014-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2010-04-27 US disclosed
US-20090062327-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-7396832-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2008-07-08 US disclosed
US-20070149536-A1 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. 2007-06-28 US 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-20070149536-A1 Inhibitors of Akt activity AKT1, AKT2, AKT3 MAPK14 359/4885BCHE 2315/4885ACHE 2354/4885
US-20090062327-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG MAPK14 374/4885BCHE 3622/4885ACHE 3092/4885

“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.