SCHEMBL2279037

SCHEMBL2279037

Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CNC(=O)c5cnc6ccccc6c5)cc4)nc3ccn12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
AKT1 P31749 3/20 0.47
AKT2 P31751 3/20 0.47
KCNH2 Q12809 1/20 0.47
HPGDS O60760 2/20 0.43
HPGD P15428 1/20 0.42
NAMPT P43490 2/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
KDM1A O60341 1/20 0.41
PDE2A O00408 1/20 0.40
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
PSMD14 O00487 1/20 0.39
COPS5 Q92905 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL2279809 0.86 AKT1 (0.49) AKT1AKT2KCNH2HPGDNAMPT
SCHEMBL2278868 0.84 AKT1 (0.48) AKT1AKT2KCNH2HPGDLMNA
SCHEMBL2286619 0.84 AKT1 (0.42) AKT1AKT2KCNH2
SCHEMBL2281499 0.84 AKT1 (0.46) AKT1AKT2KCNH2HPGDLMNA
SCHEMBL2278772 0.83 AKT1 (0.46) HDAC1AKT1AKT2KCNH2NAMPT
SCHEMBL2279249 0.82 ALDH1A1 (0.47) AKT1AKT2KCNH2LMNATP53
SCHEMBL3504691 0.82 AKT1 (0.47) AKT1AKT2KCNH2HPGDLMNA
SCHEMBL2287763 0.82 AKT1 (0.47) AKT1AKT2KCNH2HPGDLMNA
SCHEMBL14796819 0.82 AKT1 (0.47) AKT1AKT2KCNH2HPGDLMNA
SCHEMBL2279762 0.81 AKT1 (0.45) AKT1AKT2KCNH2HPGDNAMPT

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 HDAC1 253/4885HDAC3 683/4885HDAC2 706/4885

“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.