SCHEMBL2800550

SCHEMBL2800550

Cc1c[nH]c2ncnc(N3CCN(C(=O)C(CNC(=O)OC(C)(C)C)c4ccc(Cl)cc4)CC3)c12

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.62
AKT1S1 Q96B36 2/20 0.52
AKT3 Q9Y243 8/20 0.51
AKT2 P31751 6/20 0.51

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
SCHEMBL6017542 0.88 AKT1 (0.74) AKT1AKT1S1
SCHEMBL6523982 0.88 AKT1 (0.74) AKT1AKT1S1
SCHEMBL6523974 0.88 AKT1 (0.74) AKT1AKT1S1
SCHEMBL13230021 0.84 AKT1 (0.75) AKT1AKT1S1AKT3AKT2
Hydrochloric Acid SCHEMBL2796073 0.84 AKT1 (0.74) AKT1AKT1S1AKT3AKT2
SCHEMBL2800553 0.84 AKT1 (0.64) AKT1AKT1S1AKT3AKT2
SCHEMBL13230022 0.82 AKT1 (0.69) AKT1AKT1S1AKT3AKT2
Hydrochloric Acid SCHEMBL2798358 0.81 AKT1 (0.68) AKT1AKT1S1AKT3AKT2
SCHEMBL13230027 0.81 AKT1 (0.67) AKT1AKT1S1AKT3AKT2
Hydrochloric Acid SCHEMBL2795741 0.80 AKT1 (0.66) AKT1AKT1S1AKT3AKT2

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 AKT1 1/4885AKT1S1 5/4885AKT3 3/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AKT1 1/4885AKT1S1 5/4885AKT3 3/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AKT1 1/4885AKT1S1 5/4885AKT3 3/4885
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 AKT1 25/4885AKT1S1 46/4885AKT3 75/4885

“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.