SCHEMBL680141

SCHEMBL680141

C=C(C(C)C)[C@H](CNC1CCCCC1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 3/20 0.45
AKT2 P31751 2/20 0.45
AKT1 P31749 2/20 0.45
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
BCHE P06276 1/20 0.40
MCHR1 Q99705 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.40
EPHX1 P07099 3/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL681566 0.93 MEN1 (0.40) AKT3AKT2AKT1LMNACYP1A2
SCHEMBL680114 0.88 BRD4 (0.42) AKT3AKT2AKT1LMNASMN1; SMN2
SCHEMBL681244 0.87 MEN1 (0.50) AKT3AKT2AKT1POLBMCHR1
SCHEMBL681300 0.87 AKT3 (0.47) AKT3AKT2AKT1SMN1; SMN2GAA
SCHEMBL681002 0.87 AKT3 (0.47) AKT3AKT2AKT1LMNACYP1A2
SCHEMBL680199 0.86 AKT3 (0.36) AKT3AKT2AKT1CYP1A2CYP2D6
SCHEMBL17803803 0.85 AKT1 (0.48) AKT3AKT2AKT1CYP1A2CYP2D6
SCHEMBL681038 0.85 AKT3 (0.35) AKT3AKT2AKT1MCHR1SMN1; SMN2
SCHEMBL12188493 0.84 AKT3 (0.48) AKT3AKT2AKT1LMNACYP1A2
SCHEMBL681145 0.83 OPRL1 (0.43) AKT3AKT2AKT1LMNAKDM4E

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-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
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 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 AKT3 8/4885AKT2 4/4885AKT1 3/4885

“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.