SCHEMBL680165

SCHEMBL680165

C=C(C(C)C)[C@H](CNCC1CC1)c1ccc(Cl)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.36
AKT2 P31751 2/20 0.36
AKT3 Q9Y243 2/20 0.36
GPR139 Q6DWJ6 4/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PTGIR P43119 1/20 0.34

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
SCHEMBL680134 0.95 EPHX1 (0.38) AKT1AKT2AKT3MEN1CYP3A4
SCHEMBL12194519 0.89 CYP3A4 (0.40) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL681289 0.88 AKT1 (0.38) AKT1AKT2AKT3GPR139MEN1
SCHEMBL16263182 0.88 AKT1 (0.38) AKT1AKT2AKT3GPR139MEN1
SCHEMBL17803806 0.87 LMNA (0.37) AKT1AKT2AKT3MEN1TP53
SCHEMBL680195 0.86 AKT1 (0.36) AKT1AKT2AKT3MEN1KMT2A
SCHEMBL16264770 0.85 AKT1 (0.39) AKT1AKT2AKT3GPR139SLC6A2
SCHEMBL12188596 0.85 AKT1 (0.39) AKT1AKT2AKT3GPR139SLC6A2
SCHEMBL681385 0.85 LMNA (0.38) GPR139
SCHEMBL680761 0.84 EPHX1 (0.40) AKT1AKT2AKT3GPR139MEN1

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 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.