SCHEMBL1600580

SCHEMBL1600580

Brc1nnc(-c2ccc3cnccc3c2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.45
AKT1 P31749 2/20 0.45
SGK1 O00141 1/20 0.45
PRKCZ Q05513 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
TDO2 P48775 1/20 0.40
SNCA P37840 2/20 0.40
CCNT1 O60563 1/20 0.39
PIM1 P11309 1/20 0.39
CDK9 P50750 1/20 0.39
HASPIN Q8TF76 1/20 0.39
AR P10275 1/20 0.39
CDC7 O00311 1/20 0.38
CCNE1 P24864 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
CYP19A1 P11511 2/20 0.37
CYP17A1 P05093 1/20 0.37
ALOX15 P16050 2/20 0.36
QPCT Q16769 1/20 0.36

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
SCHEMBL31729631 0.83 GSK3B (0.46) CDK2AKT1SGK1PRKCZ
SCHEMBL1594955 0.83 KDM4E (0.57) CDK2AKT1SGK1PRKCZQPCT
SCHEMBL12706160 0.83 GSK3B (0.46) CDK2AKT1SGK1PRKCZ
SCHEMBL14549144 0.83 CDK2 (0.44) CDK2AKT1SGK1PRKCZCYP11B1
SCHEMBL14260753 0.80 KDM4E (0.59) CDK2AKT1SGK1PRKCZPIM1
SCHEMBL1594907 0.79 CDK2 (0.44) CDK2AKT1SGK1PRKCZCYP11B1
SCHEMBL1595225 0.77 CDK2 (0.41) CDK2AKT1SGK1PRKCZCYP11B1
SCHEMBL1595231 0.77 CDK2 (0.42) CDK2AKT1SGK1PRKCZTDO2
SCHEMBL12766068 0.76 CYP19A1 (0.47) AKT1PRKCZCYP11B1CYP11B2TDO2
SCHEMBL12766113 0.76 CYP19A1 (0.43) CDK2AKT1SGK1PRKCZCYP11B1

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 18 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 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
CN-101389335-A Thiadiazole compounds and methods of use. AMGEN INC (US) 2009-03-18 CN disclosed
US-20080269243-A1 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-10-30 US disclosed
US-20080269243-A1 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-10-30 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
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 CDK2 124/4885AKT1 23/4885SGK1 256/4885
US-20080269243-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 CDK2 124/4885AKT1 23/4885SGK1 256/4885
US-20060154961-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 CDK2 124/4885AKT1 23/4885SGK1 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.