SCHEMBL1601327

SCHEMBL1601327

N[C@H](CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.82
CDK2 P24941 13/20 0.82
SGK1 O00141 1/20 0.49
QPCT Q16769 1/20 0.48
QPCTL Q9NXS2 1/20 0.48
CLK1 P49759 2/20 0.48
CLK2 P49760 2/20 0.48
DYRK1A Q13627 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
DYRK1B Q9Y463 2/20 0.48
CLK3 P49761 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
SCHEMBL1601331 1.00 AKT1 (0.82) AKT1CDK2SGK1QPCTQPCTL
SCHEMBL1601332 1.00 AKT1 (0.82) AKT1CDK2SGK1QPCTQPCTL
SCHEMBL1600779 0.92 AKT1 (0.78) AKT1CDK2SGK1QPCTQPCTL
SCHEMBL1600784 0.92 AKT1 (0.78) AKT1CDK2SGK1QPCTQPCTL
SCHEMBL1601930 0.90 AKT1 (1.00) AKT1CDK2SGK1QPCTQPCTL
SCHEMBL1601929 0.90 AKT1 (1.00) AKT1CDK2SGK1QPCTQPCTL
SCHEMBL1601925 0.90 AKT1 (1.00) AKT1CDK2SGK1QPCTQPCTL
SCHEMBL1600653 0.87 AKT1 (0.82) AKT1CDK2SGK1QPCTQPCTL
SCHEMBL1600824 0.87 AKT1 (0.76) AKT1CDK2SGK1QPCTQPCTL
SCHEMBL1600651 0.87 AKT1 (0.82) AKT1CDK2SGK1QPCTQPCTL

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 22 patents — showing the first 20. 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-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-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-7700636-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2010-04-20 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-20080255145-A1 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-10-16 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-7354944-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-04-08 US disclosed
US-7354944-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-04-08 US disclosed
EP-1809282-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2007-07-25 EP disclosed
US-20060154961-A1 Thiadiazole compounds and methods of use AMGEN INC. 2006-07-13 US disclosed
WO-2006044860-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-04-27 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 (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.