SCHEMBL2797356

SCHEMBL2797356

CC(C)(C)OC(=O)NCCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(c2ncnc3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
AKT1S1 Q96B36 1/20 0.44
AKT3 Q9Y243 1/20 0.44
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACACB O00763 2/20 0.39
ACACA Q13085 2/20 0.39
UBE2N P61088 1/20 0.38

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
SCHEMBL13229960 0.85 AKT1 (0.51) MALT1AKT1AKT2AKT1S1AKT3
SCHEMBL15745972 0.83 AKT1 (0.53) MALT1AKT1AKT2AKT1S1AKT3
SCHEMBL2797874 0.75 AKT1 (0.61) AKT1AKT2AKT1S1AKT3
SCHEMBL2800148 0.75 AKT1 (0.61) AKT1AKT2AKT1S1AKT3
SCHEMBL2798569 0.73 AKT1 (0.50) AKT1AKT2AKT1S1AKT3PDGFRB
SCHEMBL1723436 0.73 AKT1 (0.54) AKT1AKT2AKT3CYP1A2
SCHEMBL1723435 0.73 AKT1 (0.54) AKT1AKT2AKT3CYP1A2
SCHEMBL2794592 0.73 LMNA (0.55) MALT1SIRT2SIRT1SIRT3CNR1
SCHEMBL30945062 0.73 LMNA (0.55) MALT1SIRT2SIRT1SIRT3CNR1
SCHEMBL2800686 0.68 AKT1 (0.62) AKT1AKT2AKT1S1AKT3PDGFRB

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 5 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
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

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 MALT1 652/4885SIRT2 3341/4885SIRT1 2942/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 MALT1 652/4885SIRT2 3341/4885SIRT1 2942/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 MALT1 652/4885SIRT2 3341/4885SIRT1 2942/4885
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 MALT1 328/4885SIRT2 3137/4885SIRT1 3021/4885

“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.