SCHEMBL2889779

SCHEMBL2889779

CN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C=O)cc4)nc3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.53
AKT2 P31751 16/20 0.53
KCNH2 Q12809 6/20 0.51
USP2 O75604 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 3/20 0.47
GLA P06280 3/20 0.47
CASP1 P29466 3/20 0.47
CASP7 P55210 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 1/20 0.45
HTR3A P46098 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3903226 0.88 AKT1 (0.55) AKT1AKT2KCNH2
SCHEMBL3901805 0.87 AKT1 (0.60) AKT1AKT2KCNH2
SCHEMBL3896800 0.86 AKT1 (0.57) AKT1AKT2KCNH2
SCHEMBL3891489 0.85 AKT1 (0.48) AKT1AKT2KCNH2
SCHEMBL1351404 0.84 AKT1 (0.59) AKT1AKT2KCNH2
SCHEMBL1349473 0.82 AKT1 (0.54) AKT1AKT2KCNH2
Hydrochloric Acid SCHEMBL1349730 0.82 AKT1 (0.53) AKT1AKT2KCNH2
Trifluoroacetic Acid SCHEMBL1352082 0.79 AKT1 (0.53) AKT1AKT2KCNH2
SCHEMBL2896614 0.77 AKT1 (0.60) AKT1AKT2
SCHEMBL13800291 0.77 AKT1 (0.42) AKT1AKT2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
EP-1737861-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2005100356-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2005-10-27 WO 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-20080280899-A1 Inhibitors of Akt Activity AKT1, AKT2, AKT3 AKT1 1/4885AKT2 2/4885KCNH2 4333/4885

“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.