SCHEMBL2287572

SCHEMBL2287572

Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CNC(=O)Nc5cccnc5)cc4)nc3ccn12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.45
AKT2 P31751 3/20 0.45
KCNH2 Q12809 1/20 0.45
NAMPT P43490 10/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
IMPDH2 P12268 1/20 0.39
MCL1 Q07820 1/20 0.39
F3 P13726 1/20 0.39

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
SCHEMBL2279809 0.87 AKT1 (0.49) AKT1AKT2KCNH2NAMPT
SCHEMBL2277096 0.87 LMNA (0.50) AKT1AKT2KCNH2ALDH1A1GAA
Hydrochloric Acid SCHEMBL2279148 0.86 LMNA (0.49) AKT1AKT2KCNH2ALDH1A1GAA
SCHEMBL2279649 0.85 KCNH2 (0.46) AKT1AKT2KCNH2NAMPTSMN1; SMN2
SCHEMBL2287740 0.84 ALDH1A1 (0.43) AKT1AKT2KCNH2NAMPTKDM4E
SCHEMBL2278868 0.83 AKT1 (0.48) AKT1AKT2KCNH2KDM4E
SCHEMBL2279950 0.83 AKT1 (0.46) AKT1AKT2KCNH2ALDH1A1
SCHEMBL2279645 0.82 AKT1 (0.47) AKT1AKT2KCNH2ALDH1A1GAA
SCHEMBL2279762 0.82 AKT1 (0.45) AKT1AKT2KCNH2NAMPT
SCHEMBL2287763 0.82 AKT1 (0.47) AKT1AKT2KCNH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898903-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-03-27 EP claimed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US claimed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US claimed
EP-1898903-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-03-27 EP disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 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 (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-20100222321-A1 Inhibitors of akt activtiy PIK3CA, PIK3CD, INPP5D AKT1 8/4885AKT2 4/4885KCNH2 3672/4885

“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.