SCHEMBL1601080

SCHEMBL1601080

COc1cccc(C[C@H](N)CNc2nnc(-c3ccc4cnccc4c3)s2)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.66
CDK2 P24941 13/20 0.66
SGK1 O00141 1/20 0.66
PRKACA P17612 1/20 0.49
ROCK1 Q13464 1/20 0.49
PRKCI P41743 2/20 0.47
DYRK1A Q13627 1/20 0.43

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
SCHEMBL1601084 1.00 AKT1 (0.66) AKT1CDK2SGK1PRKACAROCK1
SCHEMBL1601086 1.00 AKT1 (0.66) AKT1CDK2SGK1PRKACAROCK1
SCHEMBL1601108 0.90 AKT1 (0.75) AKT1CDK2SGK1PRKCI
SCHEMBL1601101 0.90 AKT1 (0.75) AKT1CDK2SGK1PRKCI
SCHEMBL1601105 0.90 AKT1 (0.75) AKT1CDK2SGK1PRKCI
SCHEMBL1601353 0.89 AKT1 (0.68) AKT1CDK2SGK1PRKCI
SCHEMBL1601356 0.89 AKT1 (0.68) AKT1CDK2SGK1PRKCI
SCHEMBL1601358 0.89 AKT1 (0.68) AKT1CDK2SGK1PRKCI
SCHEMBL1600548 0.88 AKT1 (0.77) AKT1CDK2SGK1
SCHEMBL1600546 0.88 AKT1 (0.77) AKT1CDK2SGK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809282-B1 THIADIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2013-01-09 EP claimed
US-7354944-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-04-08 US claimed
US-20060154961-A1 Thiadiazole compounds and methods of use AMGEN INC. 2006-07-13 US claimed
EP-1809282-B1 THIADIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2013-01-09 EP disclosed
US-7919514-B2 Protein kinase B inhibitors; anticarcinogenic, antiinflammatory and antiproliferative agents; metabolic disorders; 3-(3-fluoro-phenyl)-N-[5-(3-methyl-1H-indazol-5-yl)-[1,3,4]thiadiazol-2-yl]-propane-1,2-diamine and derivatives AMGEN INC. (US) 2011-04-05 US disclosed
US-7700636-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2010-04-20 US disclosed
US-20080269243-A1 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-10-30 US disclosed
US-20080255145-A1 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-10-16 US disclosed
US-7354944-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-04-08 US disclosed
US-20060154961-A1 Thiadiazole compounds and methods of use AMGEN INC. 2006-07-13 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 (3 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-20080255145-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 AKT1 23/4885CDK2 124/4885SGK1 256/4885
US-20080269243-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 AKT1 23/4885CDK2 124/4885SGK1 256/4885
US-20060154961-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 AKT1 23/4885CDK2 124/4885SGK1 256/4885

“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.