SCHEMBL925416

SCHEMBL925416

O=C(O)N1CCOCC1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
CA2 P00918 2/20 0.40
PDK1 Q15118 3/20 0.34
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
GLA P06280 1/20 0.31
FKBP1A P62942 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 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
SCHEMBL11842706 0.77 CA12 (0.39) CA12CA1CA9CA2PDK1
SCHEMBL29122407 0.77 CA12 (0.46) CA12CA1CA9CA2PDK1
SCHEMBL3991346 0.77 CA12 (0.56) CA12CA1CA9CA2PDK1
SCHEMBL8916507 0.77 CA12 (0.42) CA12CA1CA9CA2PDK1
SCHEMBL5742303 0.77 CA12 (0.46) CA12CA1CA9CA2PDK1
SCHEMBL14645780 0.77 CA12 (0.56) CA12CA1CA9CA2PDK1
SCHEMBL5239461 0.77 CA12 (0.39) CA12CA1CA9CA2PDK1
SCHEMBL22091994 0.77 CA12 (0.46) CA12CA1CA9CA2PDK1
SCHEMBL21805912 0.77 CA12 (0.56) CA12CA1CA9CA2PDK1
Hydrochloric Acid SCHEMBL29178589 0.75 CA12 (0.55) CA12CA1CA9CA2PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409886-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-08-09 US disclosed
US-20160152601-A9 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-06-02 US disclosed
EP-2170863-B1 Pyrimido cyclopentanes useful for the treatment of inflammatory or hyperproliferative diseases ARRAY BIOPHARMA INC (US) 2015-09-02 EP disclosed
US-20140080829-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2014-03-20 US disclosed
US-8618097-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2013-12-31 US disclosed
US-20110015204-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2011-01-20 US disclosed
EP-2170863-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-04-07 EP disclosed
WO-2009006567-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-01-08 WO 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 (3 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-20140080829-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 CA12 4716/4885CA1 4413/4885CA9 4178/4885
US-20160152601-A9 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 CA12 4716/4885CA1 4413/4885CA9 4178/4885
US-20110015204-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 CA12 4733/4885CA1 4519/4885CA9 4149/4885

“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.