SCHEMBL3893537

SCHEMBL3893537

OS1(O)CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.68
AKT2 P31751 20/20 0.68
KCNH2 Q12809 1/20 0.61

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
SCHEMBL3893520 0.93 AKT1 (0.78) AKT1AKT2KCNH2
SCHEMBL3904247 0.92 AKT1 (0.78) AKT1AKT2KCNH2
SCHEMBL3893812 0.92 AKT1 (0.78) AKT1AKT2KCNH2
SCHEMBL3891440 0.92 AKT1 (0.77) AKT1AKT2KCNH2
SCHEMBL3893494 0.91 AKT1 (0.79) AKT1AKT2KCNH2
SCHEMBL3889603 0.90 AKT1 (0.78) AKT1AKT2KCNH2
SCHEMBL3893092 0.90 AKT1 (0.79) AKT1AKT2KCNH2
SCHEMBL3890219 0.89 AKT1 (0.79) AKT1AKT2KCNH2
SCHEMBL3890226 0.89 AKT1 (0.79) AKT1AKT2KCNH2
SCHEMBL3891066 0.89 AKT1 (0.69) AKT1AKT2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 US claimed
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 US claimed
EP-1784175-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-07-22 EP disclosed
US-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 US disclosed
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
EP-1784175-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-05-16 EP disclosed
WO-2006036395-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-04-06 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-20070254901-A1 Inhibitors of Akt Activity AKT1, AKT2, PIK3CD AKT1 1/4885AKT2 2/4885KCNH2 4442/4885

“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.