SCHEMBL2279249

SCHEMBL2279249

Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CNC(=O)Cc5ccccc5)cc4)nc3ccn12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
AKT1 P31749 3/20 0.47
AKT2 P31751 2/20 0.47
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ROCK2 O75116 1/20 0.46
MAP3K11 Q16584 1/20 0.42
SRC P12931 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
BACE1 P56817 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL2281677 0.96 AKT1 (0.46) ALDH1A1LMNAAKT1AKT2KCNH2
SCHEMBL2279645 0.95 AKT1 (0.47) ALDH1A1LMNAAKT1AKT2KCNH2
SCHEMBL2284310 0.93 AKT1 (0.44) ALDH1A1LMNAAKT1AKT2KCNH2
SCHEMBL2278868 0.93 AKT1 (0.48) LMNAAKT1AKT2KCNH2MEN1
SCHEMBL2277096 0.93 LMNA (0.50) ALDH1A1LMNAAKT1AKT2KCNH2
SCHEMBL2283390 0.92 AKT1 (0.45) ALDH1A1LMNAAKT1AKT2KCNH2
Hydrochloric Acid SCHEMBL2279148 0.92 LMNA (0.49) ALDH1A1LMNAAKT1AKT2KCNH2
SCHEMBL2280049 0.91 AKT1 (0.45) ALDH1A1LMNAAKT1AKT2KCNH2
SCHEMBL2287763 0.91 AKT1 (0.47) LMNAAKT1AKT2KCNH2MEN1
SCHEMBL3504691 0.91 AKT1 (0.47) ALDH1A1LMNAAKT1AKT2KCNH2

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 9 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
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 ALDH1A1 4074/4885LMNA 2118/4885AKT1 8/4885

“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.