SCHEMBL681179

SCHEMBL681179

C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(Cl)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.51
AKT2 P31751 1/20 0.51
AKT3 Q9Y243 1/20 0.51
MAPK1 P28482 19/20 0.43
RPS6KA1 Q15418 3/20 0.43
CDK2 P24941 14/20 0.42
CCNE1 P24864 3/20 0.42
CCNA2 P20248 10/20 0.41
MAPK3 P27361 10/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL681699 0.90 AKT1 (0.41) AKT1AKT2AKT3
SCHEMBL681234 0.90 AKT1 (0.41) AKT1AKT2AKT3MAPK1CDK2
SCHEMBL681441 0.89 AKT1 (0.53) AKT1AKT2AKT3MAPK1RPS6KA1
SCHEMBL17803804 0.88 ALDH1A1 (0.40) AKT1AKT2AKT3MAPK1RPS6KA1
SCHEMBL681770 0.87 AKT1 (0.40) AKT1AKT2AKT3MAPK1RPS6KA1
SCHEMBL12194528 0.87 AKT1 (0.40) AKT1AKT2AKT3MAPK1RPS6KA1
SCHEMBL12188392 0.87 AKT1 (0.54) AKT1AKT2AKT3MAPK1RPS6KA1
SCHEMBL681588 0.85 MAPK1 (0.39) AKT1AKT2AKT3MAPK1
SCHEMBL17803805 0.85 MAPK1 (0.43) AKT1AKT2AKT3MAPK1RPS6KA1
SCHEMBL2738961 0.84 AKT1 (0.52) AKT1AKT2AKT3MAPK1RPS6KA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 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-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 AKT1 3/4885AKT2 4/4885AKT3 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.