SCHEMBL2531670

SCHEMBL2531670

C[C@@H]1C[C@@H](O)c2ncnc(N3CCC(COC(C)(c4ccc(Cl)cc4)N(C)C)CC3)c21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.53
AKT2 P31751 20/20 0.53
AKT3 Q9Y243 20/20 0.53
PIK3CA P42336 1/20 0.49
PRKG1 Q13976 1/20 0.49

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
SCHEMBL2531668 0.79 AKT1 (0.57) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2517428 0.75 AKT1 (0.56) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2517433 0.75 AKT1 (0.56) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2517506 0.75 AKT1 (0.56) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL17424838 0.71 AKT1 (0.81) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL192276 0.71 AKT1 (0.81) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191293 0.71 AKT1 (0.81) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL193110 0.71 AKT1 (0.81) AKT1AKT2AKT3PIK3CAPRKG1
Hydrochloric Acid SCHEMBL3120703 0.71 AKT1 (0.51) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191789 0.71 AKT1 (0.85) AKT1AKT2AKT3PIK3CAPRKG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329709-B2 5H-cyclopenta[D]pyrimidines as AKT protein kinase inhibitors GENENTECH, INC. (US) 2012-12-11 US disclosed
US-20110251181-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2011-10-13 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-20110251181-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS AKT3, PIK3CA, AKT2 AKT1 5/4885AKT2 3/4885AKT3 1/4885

“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.