SCHEMBL681430

SCHEMBL681430

CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(Cl)c(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
AKT1 P31749 3/20 0.42
EPHX1 P07099 1/20 0.39
SLC22A3 O75751 1/20 0.36
RORC P51449 2/20 0.36
CACNA1H O95180 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.34
RPS6KB1 P23443 1/20 0.34
NOTUM Q6P988 1/20 0.34
PHGDH O43175 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
SCHEMBL12188435 0.89 AKT1 (0.42) MAPK1AKT1EPHX1SLC22A3RORC
SCHEMBL681219 0.88 AKT1 (0.40) MAPK1AKT1EPHX1SLC22A3RORC
SCHEMBL8226056 0.88 AKT1 (0.46) MAPK1AKT1EPHX1SLC22A3RORC
SCHEMBL681229 0.87 CACNA1H (0.38) MAPK1SLC22A3CACNA1HMAPTEPHX2
SCHEMBL12168538 0.85 SLC22A3 (0.47) MAPK1SLC22A3AKR1C3AKR1C2ALDH1A1
SCHEMBL680781 0.85 PDE2A (0.47) CACNA1HEPHX2
SCHEMBL681228 0.82 AKT1 (0.48) MAPK1AKT1AKR1C3AKR1C2ALDH1A1
SCHEMBL680766 0.81 ALDH1A1 (0.48) ALDH1A1
SCHEMBL679630 0.80 ALDH1A1 (0.46) EPHX1ALDH1A1EPHX2
SCHEMBL681282 0.80 AKT1 (0.46) MAPK1AKT1ALDH1A1MAPTRPS6KB1

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-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-11-05 US disclosed
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 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 (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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MAPK1 82/4885AKT1 1/4885EPHX1 1879/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MAPK1 82/4885AKT1 1/4885EPHX1 1879/4885
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MAPK1 82/4885AKT1 1/4885EPHX1 1879/4885

“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.