SCHEMBL684339

SCHEMBL684339

CC(=O)[C@H](CNC(C)C)c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.41
ADRB1 P08588 6/20 0.41
ADRB3 P13945 6/20 0.41
TSHR P16473 3/20 0.38
HIF1A Q16665 3/20 0.38
ADRA1A P35348 2/20 0.38
BLM P54132 3/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
APEX1 P27695 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
POLB P06746 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
NFKB1 P19838 2/20 0.35

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
SCHEMBL16151956 0.91 ADRB2 (0.37) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL14295414 0.90 USP9X (0.38) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL681274 0.85 ADRB2 (0.40) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL684103 0.83 ADRB2 (0.49) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL681189 0.82 ADRB2 (0.40) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL683280 0.80 PDPK1 (0.45) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL12188492 0.80 TACR1 (0.40) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL2739272 0.76 TRPM8 (0.43) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL684125 0.76 ADRB2 (0.41) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL684404 0.76 AKT1 (0.47) ADRB2ADRB1ADRB3BLMMEN1

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 ADRB2 3549/4885ADRB1 3164/4885ADRB3 3376/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ADRB2 3436/4885ADRB1 2832/4885ADRB3 3265/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ADRB2 3436/4885ADRB1 2832/4885ADRB3 3265/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ADRB2 3436/4885ADRB1 2832/4885ADRB3 3265/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ADRB2 3436/4885ADRB1 2832/4885ADRB3 3265/4885

“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.