SCHEMBL684386

SCHEMBL684386

CC(=O)[C@H](CN)c1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
APLNR P35414 4/20 0.43
ACACB O00763 1/20 0.38
FPR2 P25090 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 1/20 0.35
ADRB2 P07550 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1A P35348 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.33
RAD52 P43351 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 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
SCHEMBL8217389 0.86 DGAT1 (0.49) DGAT1APLNRACACBFPR2L3MBTL1
SCHEMBL681465 0.85 APLNR (0.44) DGAT1APLNRACACBFPR2L3MBTL1
SCHEMBL16151893 0.83 LOXL2 (0.36) L3MBTL1ADRB2CYP3A4HSD17B10ADRA2A
SCHEMBL680198 0.82 APLNR (0.44) DGAT1APLNRACACBFPR2L3MBTL1
SCHEMBL683582 0.81 MDM2 (0.40) ALDH1A1CYP3A4ADRA2CADRA1A
SCHEMBL684999 0.80 ADRB2 (0.41) DGAT1APLNRACACBFPR2ADRB2
SCHEMBL12188449 0.79 PDE2A (0.54) ALDH1A1CYP3A4HSD17B10KDM4E
SCHEMBL18839443 0.78 DGAT1 (0.47) DGAT1APLNRFPR2L3MBTL1ALDH1A1
SCHEMBL19914018 0.77 DGAT1 (0.44) DGAT1APLNRACACBFPR2L3MBTL1
SCHEMBL2637191 0.76 FPR2 (0.47) DGAT1APLNRFPR2L3MBTL1ALDH1A1

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 DGAT1 1989/4885APLNR 3968/4885ACACB 3006/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 DGAT1 1929/4885APLNR 4070/4885ACACB 3204/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 DGAT1 1929/4885APLNR 4070/4885ACACB 3204/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 DGAT1 1929/4885APLNR 4070/4885ACACB 3204/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 DGAT1 1929/4885APLNR 4070/4885ACACB 3204/4885

“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.