SCHEMBL2795545

SCHEMBL2795545

CC(C)(C)OC(=O)NCCCC(Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
GAA P10253 2/20 0.64
MEN1 O00255 1/20 0.64
DRD2 P14416 5/20 0.48
PPARG P37231 2/20 0.46
EPHX2 P34913 1/20 0.46
LMNA P02545 1/20 0.46
PPARA Q07869 1/20 0.46
MME P08473 1/20 0.44
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3668701 0.94 GAA (0.55) KMT2AGAAMEN1DRD2PPARG
SCHEMBL24003388 0.89 MEN1 (0.69) KMT2AGAAMEN1TDP1MAPT
SCHEMBL9074865 0.89 MEN1 (0.69) KMT2AGAAMEN1TDP1MAPT
SCHEMBL2799300 0.86 GAA (0.50) KMT2AGAAMEN1DRD2PPARG
SCHEMBL2799041 0.86 GAA (0.50) KMT2AGAAMEN1DRD2PPARG
SCHEMBL31021822 0.84 MEN1 (0.56) KMT2AGAAMEN1DRD2PPARG
SCHEMBL9074547 0.84 MEN1 (0.62) KMT2AGAAMEN1TDP1MAPT
SCHEMBL2800560 0.82 MEN1 (0.56) KMT2AGAAMEN1PPARGPPARA
SCHEMBL4729460 0.82 MEN1 (0.58) KMT2AGAAMEN1TDP1
SCHEMBL21077910 0.80 DRD2 (0.55) KMT2AGAAMEN1DRD2LMNA

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-20160152576-A9 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2016-06-02 US disclosed
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2014-05-29 US disclosed
US-8680114-B2 AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-03-25 US disclosed
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2010-07-01 US disclosed
EP-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 EP disclosed
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline ARRAY BIOPHARMA INC. 2005-06-16 US disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 WO 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-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KMT2A 2166/4885GAA 2160/4885MEN1 2997/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KMT2A 2166/4885GAA 2160/4885MEN1 2997/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KMT2A 2166/4885GAA 2160/4885MEN1 2997/4885
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline MTOR, CDK2, CLK2 KMT2A 2116/4885GAA 3630/4885MEN1 3226/4885

“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.