SCHEMBL680195

SCHEMBL680195

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 1/20 0.36
IDH1 O75874 1/20 0.32
FAAH O00519 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ADRB2 P07550 1/20 0.31
GNRHR P30968 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
BCHE P06276 3/20 0.30
POLB P06746 1/20 0.30
GPR88 Q9GZN0 1/20 0.30
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL680820 0.88 AKT1 (0.38) AKT1AKT2AKT3IDH1FAAH
SCHEMBL17803806 0.87 LMNA (0.37) AKT1AKT2AKT3POLBMEN1
SCHEMBL680165 0.86 AKT1 (0.36) AKT1AKT2AKT3MEN1KMT2A
SCHEMBL12391471 0.85 AKT1 (0.39) AKT1AKT2AKT3FAAHBCHE
SCHEMBL680149 0.84 AKT1 (0.49) AKT1AKT2AKT3EPHX2
SCHEMBL17803807 0.84 HTR2A (0.40) AKT1AKT2AKT3GNRHRRAB9A
SCHEMBL2738668 0.83 AKT1 (0.37) AKT1AKT2AKT3ADRB2BCHE
SCHEMBL681349 0.82 POLB (0.39) AKT1AKT2AKT3HDAC3HDAC1
SCHEMBL680134 0.81 EPHX1 (0.38) AKT1AKT2AKT3FAAHBCHE
SCHEMBL680197 0.81 ADRB2 (0.40) ADRB2POLBMEN1KMT2A

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.