SCHEMBL2279645

SCHEMBL2279645

Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CNC(=O)Cc5ccncc5)cc4)nc3ccn12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.47
AKT2 P31751 4/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.43
NPY5R Q15761 2/20 0.42
LMNA P02545 2/20 0.42
ROCK2 O75116 1/20 0.41
TSHR P16473 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
MAP3K11 Q16584 1/20 0.38

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
SCHEMBL2279249 0.95 ALDH1A1 (0.47) AKT1AKT2KCNH2ALDH1A1GAA
SCHEMBL2281677 0.93 AKT1 (0.46) AKT1AKT2KCNH2ALDH1A1MEN1
SCHEMBL2277096 0.91 LMNA (0.50) AKT1AKT2KCNH2ALDH1A1GAA
Hydrochloric Acid SCHEMBL2279148 0.90 LMNA (0.49) AKT1AKT2KCNH2ALDH1A1GAA
SCHEMBL2278868 0.90 AKT1 (0.48) AKT1AKT2KCNH2MEN1KMT2A
SCHEMBL2283390 0.89 AKT1 (0.45) AKT1AKT2KCNH2ALDH1A1MEN1
SCHEMBL2283008 0.89 AKT1 (0.51) AKT1AKT2KCNH2ALDH1A1MAPT
SCHEMBL2279950 0.89 AKT1 (0.46) AKT1AKT2KCNH2ALDH1A1MEN1
SCHEMBL2284310 0.89 AKT1 (0.44) AKT1AKT2KCNH2ALDH1A1MEN1
SCHEMBL2280049 0.88 AKT1 (0.45) AKT1AKT2KCNH2ALDH1A1MEN1

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.