SCHEMBL2800151

SCHEMBL2800151

c1ccc(CN2CCN(c3ccnc4[nH]ccc34)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.63
DRD4 P21917 4/20 0.63
DRD3 P35462 4/20 0.63
AKT2 P31751 3/20 0.55
NUDT1 P36639 3/20 0.55
PBK Q96KB5 1/20 0.51
METTL3 Q86U44 1/20 0.51
ALK Q9UM73 1/20 0.50
GSK3B P49841 1/20 0.50
GAA P10253 1/20 0.50
AKT1 P31749 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48
CCNK O75909 1/20 0.48

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
SCHEMBL25505716 0.79 HRH4 (0.52) DRD2DRD4DRD3AKT2NUDT1
SCHEMBL30040884 0.79 HRH4 (0.52) DRD2DRD4DRD3AKT2NUDT1
SCHEMBL30009866 0.79 JAK1 (0.59) DRD4AKT2NUDT1PBKMETTL3
SCHEMBL7401253 0.79 KCNH2 (0.64) DRD4
SCHEMBL2161609 0.77 DRD4 (1.00) DRD2DRD4DRD3GAA
SCHEMBL12605440 0.77 AKT2 (0.70) AKT2NUDT1PBKGSK3BJAK3
SCHEMBL3723401 0.77 ALK (0.50) DRD2DRD4DRD3ALKGAA
SCHEMBL18440877 0.76 AKT2 (0.65) AKT2NUDT1PBKGSK3BAKT1
SCHEMBL12605530 0.76 AKT2 (0.68) AKT2NUDT1PBKGSK3BJAK3
SCHEMBL27470403 0.76 CYP3A4 (0.71) DRD3GAA

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-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
CN-1882347-A AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2006-12-20 CN 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 DRD2 4777/4885DRD4 4720/4885DRD3 4759/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 DRD2 4777/4885DRD4 4720/4885DRD3 4759/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 DRD2 4777/4885DRD4 4720/4885DRD3 4759/4885
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 DRD2 4562/4885DRD4 4519/4885DRD3 4572/4885

“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.