SCHEMBL681567

SCHEMBL681567

C=C(C(C)C)[C@H](CNCC1CC1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.43
AKT2 P31751 2/20 0.43
AKT3 Q9Y243 2/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
FFAR2 O15552 2/20 0.39
CNR1 P21554 2/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL681299 1.00 AKT1 (0.43) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL17803809 0.87 KEAP1 (0.37) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL681349 0.86 POLB (0.39) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL680737 0.86 AKT1 (0.46) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL16885875 0.86 AKT1 (0.46) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL680740 0.86 AKT1 (0.46) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL12194519 0.85 CYP3A4 (0.40) MEN1KMT2ASMN1; SMN2TP53CYP3A4
SCHEMBL681172 0.83 AKT1 (0.41) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL16131663 0.83 AKT1 (0.47) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL684491 0.83 AKT1 (0.47) AKT1AKT2AKT3NPC1RAB9A

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.