SCHEMBL2576357

SCHEMBL2576357

CC1SCc2ncnc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(F)c(F)c4)CC3)c21

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.69
AKT2 P31751 1/20 0.47
AKT3 Q9Y243 1/20 0.47

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
SCHEMBL2576353 1.00 AKT1 (0.69) AKT1AKT2AKT3
SCHEMBL2577804 1.00 AKT1 (0.69) AKT1AKT2AKT3
SCHEMBL2571859 0.93 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL2584633 0.93 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL2571858 0.93 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL2574589 0.91 AKT1 (0.70) AKT1AKT2AKT3
SCHEMBL2574586 0.91 AKT1 (0.70) AKT1AKT2AKT3
SCHEMBL2574612 0.91 AKT1 (0.70) AKT1AKT2AKT3
SCHEMBL14330234 0.89 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL2575143 0.89 AKT1 (0.77) AKT1AKT2AKT3

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
US-9303040-B2 Substituted piperazines as AKT inhibitors ARRAY BIOPHARMA INC. (US) 2016-04-05 US disclosed
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-12-27 US disclosed
EP-2054418-B1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-11-09 EP 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-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DTYMK, TK1, PIK3CA AKT1 7/4885AKT2 6/4885AKT3 5/4885

“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.