SCHEMBL2278772

SCHEMBL2278772

Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CNC(=O)c5ccc(N6CCOCC6)nc5)cc4)nc3ccn12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.46
AKT2 P31751 2/20 0.46
KCNH2 Q12809 1/20 0.46
MAPK8 P45983 8/20 0.43
NAMPT P43490 3/20 0.43
HDAC1 Q13547 2/20 0.42
GRIA1 P42261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
DGAT1 O75907 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
SCHEMBL2279037 0.83 HDAC1 (0.49) AKT1AKT2KCNH2NAMPTHDAC1
SCHEMBL2279855 0.82 HTT (0.49) AKT1AKT2KCNH2KDM4EALDH1A1
SCHEMBL2279809 0.82 AKT1 (0.49) AKT1AKT2KCNH2NAMPT
SCHEMBL2278868 0.79 AKT1 (0.48) AKT1AKT2KCNH2KDM4E
SCHEMBL2281499 0.78 AKT1 (0.46) AKT1AKT2KCNH2KDM4EGAA
SCHEMBL2279762 0.78 AKT1 (0.45) AKT1AKT2KCNH2NAMPT
SCHEMBL2279249 0.77 ALDH1A1 (0.47) AKT1AKT2KCNH2ALDH1A1RAB9A
SCHEMBL2287763 0.77 AKT1 (0.47) AKT1AKT2KCNH2KDM4E
SCHEMBL3504691 0.77 AKT1 (0.47) AKT1AKT2KCNH2KDM4EALDH1A1
SCHEMBL14796819 0.77 AKT1 (0.47) AKT1AKT2KCNH2KDM4EALDH1A1

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.