SCHEMBL2283168

SCHEMBL2283168

c1ccc(-c2cc3c(ccn4c(-c5c[nH]cn5)nnc34)nc2-c2ccc(C3OCCO3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.42
AKT2 P31751 13/20 0.42
KCNH2 Q12809 4/20 0.42
AKT3 Q9Y243 2/20 0.38
FECH P22830 1/20 0.38
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31

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
SCHEMBL3505813 0.87 AKT1 (0.43) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2280823 0.83 AKT1 (0.51) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2284250 0.82 AKT1 (0.44) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2282083 0.81 AKT1 (0.41) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2279299 0.81 AKT1 (0.51) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2279594 0.80 AKT1 (0.39) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2279595 0.80 AKT1 (0.39) AKT1AKT2KCNH2AKT3FECH
SCHEMBL12375998 0.79 AKT1 (0.46) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2281107 0.74 AKT1 (0.50) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2280852 0.74 AKT1 (0.64) AKT1AKT2KCNH2

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 7 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 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.