SCHEMBL2798262

SCHEMBL2798262

CC(C)(C)OC(=O)N1CCNCC1c1ncnc2ccc(N)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.41
NR1H2 P55055 1/20 0.39
PARP1 P09874 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PIK3CD O00329 4/20 0.37
PIK3CA P42336 4/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
KIT P10721 1/20 0.35
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
MAPK7 Q13164 2/20 0.33
JAK3 P52333 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL28507911 0.86 SSTR4 (0.40) MAP4K4PARP1IRAK4PIK3CDPIK3CA
SCHEMBL30618082 0.86 MAP4K4 (0.38) MAP4K4PARP1IRAK4PIK3CDPIK3CA
SCHEMBL30826990 0.81 PARP1 (0.37) MAP4K4NR1H2PARP1IRAK4PIK3CD
SCHEMBL2923586 0.78 TLR9 (0.50) IRAK4KITEPHA2KDREPHB4
SCHEMBL2920961 0.78 TLR9 (0.50) IRAK4KITEPHA2KDREPHB4
SCHEMBL29611977 0.77 TSHR (0.36) MAP4K4PARP1MEN1KMT2A
SCHEMBL8140446 0.77 PARP1 (0.43) NR1H2PARP1
SCHEMBL7374803 0.77 PARP1 (0.40) MAP4K4NR1H2PARP1MEN1KMT2A
SCHEMBL30826881 0.76 PARP1 (0.35) NR1H2PARP1MEN1KMT2A
SCHEMBL30945064 0.76 JAK3 (0.47) JAK3

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 MAP4K4 141/4885NR1H2 987/4885PARP1 1630/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 MAP4K4 141/4885NR1H2 987/4885PARP1 1630/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 MAP4K4 141/4885NR1H2 987/4885PARP1 1630/4885
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 MAP4K4 82/4885NR1H2 1737/4885PARP1 1733/4885

“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.