SCHEMBL684469

SCHEMBL684469

CC(=O)[C@H](CCNCC(=O)N(C)C)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.35
CYP2D6 P10635 4/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KCNH2 Q12809 2/20 0.33
PYCR1 P32322 1/20 0.33

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
SCHEMBL681405 0.87 ALOX5 (0.38) CYP1A2ALOX5ALDH1A1MAPTHPGD
SCHEMBL14295159 0.86 BRD4 (0.40) ALDH1A1
SCHEMBL12188504 0.83 CYP1A2 (0.41) CYP1A2ALOX5ALDH1A1MAPTHPGD
SCHEMBL14295093 0.82 CYP1A2 (0.42) CYP1A2ALOX5ALDH1A1MAPTHPGD
SCHEMBL14295160 0.80 CYP1A2 (0.44) CYP1A2ALOX5KMT2ACNR1ESR1
SCHEMBL685406 0.77 KDM4E (0.46) CYP1A2ALDH1A1MAPTHPGDKMT2A
SCHEMBL12188508 0.76 CYP1A2 (0.45) CYP1A2ALOX5ALDH1A1MAPTKMT2A
SCHEMBL14295091 0.75 CYP1A2 (0.47) CYP1A2ALOX5CYP2D6ESR1ESR2
SCHEMBL14300655 0.75 CYP1A2 (0.39) CYP1A2ALOX5CNR1ESR1ESR2
SCHEMBL685188 0.74 PKM (0.41) CYP1A2ALOX5CNR1ESR1ESR2

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 CYP1A2 901/4885ALOX5 1578/4885ALDH1A1 2098/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CYP1A2 956/4885ALOX5 1635/4885ALDH1A1 1715/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CYP1A2 956/4885ALOX5 1635/4885ALDH1A1 1715/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CYP1A2 956/4885ALOX5 1635/4885ALDH1A1 1715/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CYP1A2 956/4885ALOX5 1635/4885ALDH1A1 1715/4885

“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.