SCHEMBL2282809

SCHEMBL2282809

NCc1ccc(-c2nc3ccn4c(-c5cccnc5)nnc4c3cc2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.44
AKT2 P31751 13/20 0.44
CYP2A6 P11509 1/20 0.43
KCNH2 Q12809 4/20 0.42
AKT3 Q9Y243 2/20 0.40
FECH P22830 1/20 0.40
NAMPT P43490 1/20 0.40
BRAF P15056 1/20 0.40
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2286258 0.91 AKT1 (0.46) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2283515 0.90 AKT1 (0.45) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2278934 0.88 AKT1 (0.48) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2282352 0.87 AKT1 (0.44) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2352974 0.87 AKT1 (0.43) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2281002 0.86 AKT1 (0.49) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2279232 0.86 AKT1 (0.43) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2281534 0.85 AKT1 (0.42) AKT1AKT2KCNH2AKT3FECH
SCHEMBL12376114 0.85 AKT1 (0.41) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2278976 0.85 AKT1 (0.42) AKT1AKT2KCNH2AKT3FECH

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
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
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
EP-1898903-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2008-03-19 EP disclosed
WO-2006135627-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-12-21 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 (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 4/4885CYP2A6 4197/4885

“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.