SCHEMBL2287481

SCHEMBL2287481

O=C(O)NCc1ccc(-c2nc3ccn4c(CCl)nnc4c3cc2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.52
AKT2 P31751 11/20 0.52
KCNH2 Q12809 4/20 0.52
HPGD P15428 1/20 0.42
RXFP1 Q9HBX9 3/20 0.40
KDM4E B2RXH2 1/20 0.40
AKT3 Q9Y243 2/20 0.39
FECH P22830 1/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL12376128 0.88 AKT1 (0.49) AKT1AKT2KCNH2
SCHEMBL3505849 0.83 AKT1 (0.43) AKT1AKT2KCNH2HPGDRXFP1
SCHEMBL3504691 0.82 AKT1 (0.47) AKT1AKT2KCNH2HPGDRXFP1
SCHEMBL2278868 0.81 AKT1 (0.48) AKT1AKT2KCNH2HPGDRXFP1
SCHEMBL2279249 0.80 ALDH1A1 (0.47) AKT1AKT2KCNH2LMNAMAPT
SCHEMBL2287763 0.80 AKT1 (0.47) AKT1AKT2KCNH2HPGDRXFP1
SCHEMBL2283339 0.80 KDM4E (0.49) AKT1AKT2KCNH2HPGDRXFP1
SCHEMBL14796819 0.79 AKT1 (0.47) AKT1AKT2KCNH2HPGDRXFP1
SCHEMBL2281677 0.79 AKT1 (0.46) AKT1AKT2KCNH2HPGDLMNA
SCHEMBL2281499 0.78 AKT1 (0.46) AKT1AKT2KCNH2HPGDRXFP1

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 3 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 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

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.