SCHEMBL2573312

SCHEMBL2573312

CC1SCc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3C)c21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.45
AKT1 P31749 12/20 0.43
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42

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
SCHEMBL2573309 1.00 GPR119 (0.45) GPR119AKT1SMARCA2SMARCA4PBRM1
SCHEMBL2577716 1.00 GPR119 (0.45) GPR119AKT1SMARCA2SMARCA4PBRM1
SCHEMBL2574370 1.00 GPR119 (0.45) GPR119AKT1SMARCA2SMARCA4PBRM1
SCHEMBL2574372 1.00 GPR119 (0.45) GPR119AKT1SMARCA2SMARCA4PBRM1
SCHEMBL2573307 1.00 GPR119 (0.45) GPR119AKT1SMARCA2SMARCA4PBRM1
SCHEMBL2576428 0.85 AKT1 (0.54) AKT1
SCHEMBL2572793 0.85 AKT1 (0.54) AKT1
SCHEMBL2572796 0.85 AKT1 (0.54) AKT1
SCHEMBL2261605 0.82 GPR119 (0.46) GPR119AKT1SMARCA2SMARCA4PBRM1
SCHEMBL2261599 0.82 GPR119 (0.46) GPR119AKT1SMARCA2SMARCA4PBRM1

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
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
EP-2054418-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-05-06 EP disclosed
WO-2008006039-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 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-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DTYMK, TK1, PIK3CA GPR119 2959/4885AKT1 7/4885SMARCA2 3884/4885

“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.