SCHEMBL684340

SCHEMBL684340

CC(=O)[C@H](CN1CCOCC1)c1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.59
▸ LMNA P02545 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ HTT P42858 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ PDE2A O00408 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ EPHX2 P34913 5/20 0.43
▸ MITF O75030 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ GRM2 Q14416 1/20 0.39
▸ IDH1 O75874 2/20 0.39
▸ CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL12188503 1.00 PAX8 (0.59) PAX8LMNAMAPTHTTSMN1; SMN2
SCHEMBL680799 0.89 LMNA (0.49) PAX8LMNAMAPTHTTSMN1; SMN2
SCHEMBL681272 0.89 LMNA (0.49) PAX8LMNAMAPTHTTSMN1; SMN2
SCHEMBL685044 0.88 PAX8 (0.47) PAX8LMNAMAPTHTTSMN1; SMN2
SCHEMBL16151899 0.88 PDE2A (0.44) PAX8LMNAMAPTHTTSMN1; SMN2
SCHEMBL684914 0.88 PDE2A (0.44) PAX8LMNAMAPTHTTSMN1; SMN2
SCHEMBL683306 0.88 PAX8 (0.47) PAX8LMNAMAPTHTTSMN1; SMN2
SCHEMBL684191 0.87 PAX8 (0.44) PAX8LMNAMAPTHTTSMN1; SMN2
SCHEMBL684420 0.87 PAX8 (0.44) PAX8LMNAMAPTHTTSMN1; SMN2
SCHEMBL12188502 0.86 PDE2A (0.44) PAX8PDE2AEPHX2

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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 — — US disclosed
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 — — US disclosed
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2016-06-02 — — US disclosed
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 — — US disclosed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 — — US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 — — 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 (5 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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 PAX8 4199/4885LMNA 3606/4885MAPT 3730/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PAX8 4208/4885LMNA 3606/4885MAPT 3868/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PAX8 4208/4885LMNA 3606/4885MAPT 3868/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PAX8 4208/4885LMNA 3606/4885MAPT 3868/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PAX8 4208/4885LMNA 3606/4885MAPT 3868/4885

“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.

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