SCHEMBL1674453

SCHEMBL1674453

N[C@]1(c2ccc(-c3nc4ccn5c(-c6ncccn6)nnc5c4cc3-c3ccccc3)cc2)C[C@@H](F)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.51
AKT2 P31751 15/20 0.51
AKT3 Q9Y243 2/20 0.51
FECH P22830 1/20 0.51
KCNH2 Q12809 3/20 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
SCHEMBL1674451 1.00 AKT1 (0.51) AKT1AKT2AKT3FECHKCNH2
SCHEMBL1674636 1.00 AKT1 (0.51) AKT1AKT2AKT3FECHKCNH2
SCHEMBL1674489 0.92 AKT1 (0.50) AKT1AKT2AKT3FECHKCNH2
SCHEMBL1674578 0.92 AKT1 (0.50) AKT1AKT2AKT3FECHKCNH2
SCHEMBL1674492 0.92 AKT1 (0.50) AKT1AKT2AKT3FECHKCNH2
SCHEMBL1674599 0.92 AKT1 (0.50) AKT1AKT2AKT3FECHKCNH2
SCHEMBL2283471 0.91 AKT1 (0.58) AKT1AKT2AKT3FECHKCNH2
SCHEMBL15899969 0.90 AKT1 (0.48) AKT1AKT2AKT3FECHKCNH2
SCHEMBL1674543 0.90 AKT1 (0.48) AKT1AKT2AKT3FECHKCNH2
SCHEMBL1674577 0.90 AKT1 (0.48) AKT1AKT2AKT3FECHKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303269-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2014-07-30 EP claimed
US-20110092511-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2011-04-21 US claimed
EP-2303269-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2014-07-30 EP disclosed
US-8207169-B2 Substituted [1,2,4]triazolo[4′,3′:1,6]pyrido[2,3-b]pyrazines of the formula D MSD K.K. (JP) 2012-06-26 US disclosed
US-20110092511-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2011-04-21 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-20110092511-A1 INHIBITORS OF AKT ACTIVITY AKT1S1, AKT1, PIK3CA AKT1 2/4885AKT2 5/4885AKT3 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.