SCHEMBL683575

SCHEMBL683575

CC(=O)[C@H](CN1CCOCC1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.56
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MITF O75030 2/20 0.47
HTT P42858 1/20 0.47
NTSR1 P30989 2/20 0.47
HSP90AA1 P07900 1/20 0.47
TP53 P04637 1/20 0.47
ATM Q13315 1/20 0.47
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
HTR1A P08908 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL12219562 1.00 PAX8 (0.56) PAX8ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL684656 1.00 PAX8 (0.56) PAX8ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL12188383 0.95 PAX8 (0.52) PAX8ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL12188386 0.95 PAX8 (0.52) PAX8ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL684408 0.87 NTSR1 (0.56) PAX8ALDH1A1KMT2AMEN1LMNA
SCHEMBL12188434 0.87 NTSR1 (0.56) PAX8ALDH1A1KMT2AMEN1LMNA
SCHEMBL684723 0.87 NTSR1 (0.59) PAX8ALDH1A1LMNASMN1; SMN2MITF
SCHEMBL12188535 0.87 NTSR1 (0.56) PAX8ALDH1A1KMT2AMEN1LMNA
SCHEMBL680954 0.86 ALDH1A1 (0.53) ALDH1A1L3MBTL1KMT2AMEN1MAPT
SCHEMBL681213 0.86 ALDH1A1 (0.53) ALDH1A1L3MBTL1KMT2AMEN1MAPT

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 13 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-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 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-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 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-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
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 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 (8 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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 PAX8 3615/4885ALDH1A1 1144/4885L3MBTL1 2039/4885
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 PAX8 4199/4885ALDH1A1 2098/4885L3MBTL1 2443/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PAX8 4208/4885ALDH1A1 1715/4885L3MBTL1 2493/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PAX8 4208/4885ALDH1A1 1715/4885L3MBTL1 2493/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PAX8 4208/4885ALDH1A1 1715/4885L3MBTL1 2493/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PAX8 4208/4885ALDH1A1 1715/4885L3MBTL1 2493/4885
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 PAX8 3471/4885ALDH1A1 2573/4885L3MBTL1 2697/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 PAX8 3471/4885ALDH1A1 2573/4885L3MBTL1 2697/4885

“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.