SCHEMBL2281002

SCHEMBL2281002

NCc1ccc(-c2nc3ccn4c(-c5ncccn5)nnc4c3cc2-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.49
AKT2 P31751 16/20 0.49
KCNH2 Q12809 5/20 0.49
AKT3 Q9Y243 4/20 0.41
FECH P22830 1/20 0.41
ADRB2 P07550 1/20 0.39
SGK1 O00141 1/20 0.35
BRAF P15056 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
SCHEMBL2286258 0.91 AKT1 (0.46) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2281000 0.90 AKT1 (0.55) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2281640 0.88 AKT1 (0.44) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2283515 0.88 AKT1 (0.45) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2279785 0.88 AKT1 (0.46) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2282352 0.87 AKT1 (0.44) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2278929 0.87 AKT1 (0.45) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2282809 0.86 AKT1 (0.44) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2283337 0.86 AKT1 (0.45) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2279232 0.86 AKT1 (0.43) 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 12 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
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 4/4885KCNH2 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.