SCHEMBL685188

SCHEMBL685188

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.36
CTSL P07711 3/20 0.34
CTSB P07858 3/20 0.34
CTSS P25774 3/20 0.34
CTSK P43235 3/20 0.34
CNR1 P21554 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALOX5 P09917 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADRB2 P07550 1/20 0.32

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
SCHEMBL680831 0.88 PKM (0.39) PKMCYP1A2GAACTSLCTSB
SCHEMBL12028929 0.87 PKM (0.41) PKMCYP1A2GAACTSLCTSB
SCHEMBL17803820 0.85 PKM (0.39) PKMCYP1A2GAACTSLCTSB
SCHEMBL14295093 0.82 CYP1A2 (0.42) CYP1A2CTSKCNR1ESR1ESR2
SCHEMBL14295160 0.78 CYP1A2 (0.44) PKMCYP1A2CNR1ESR1ESR2
SCHEMBL12188504 0.76 CYP1A2 (0.41) CYP1A2CNR1ESR1ESR2ALOX5
SCHEMBL685406 0.75 KDM4E (0.46) CYP1A2HTT
SCHEMBL684469 0.74 CYP1A2 (0.40) CYP1A2CNR1ESR1ESR2ALOX5
SCHEMBL12188508 0.74 CYP1A2 (0.45) CYP1A2CNR1ESR1ESR2ALOX5
SCHEMBL14300655 0.73 CYP1A2 (0.39) CYP1A2CNR1ESR1ESR2ALOX5

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 7 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-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 (4 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 PKM 889/4885CYP1A2 901/4885GAA 2389/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PKM 969/4885CYP1A2 956/4885GAA 2430/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PKM 969/4885CYP1A2 956/4885GAA 2430/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PKM 969/4885CYP1A2 956/4885GAA 2430/4885

“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.