SCHEMBL1600748

SCHEMBL1600748

Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4cccc(Cl)c4)s3)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.76
CDK2 P24941 17/20 0.76
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DCLK1 O15075 1/20 0.42
MAPK13 O15264 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
JAK2 O60674 1/20 0.42
RPS6KA5 O75582 1/20 0.42
PRKD3 O94806 1/20 0.42
PAK4 O96013 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
INSR P06213 1/20 0.42
CDK1 P06493 1/20 0.42
FES P07332 1/20 0.42

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
SCHEMBL1600744 1.00 AKT1 (0.76) AKT1CDK2CDC7PLK4CHEK1
SCHEMBL1600746 1.00 AKT1 (0.76) AKT1CDK2CDC7PLK4CHEK1
SCHEMBL1600828 0.91 AKT1 (0.63) AKT1CDK2
SCHEMBL1600832 0.91 AKT1 (0.63) AKT1CDK2
SCHEMBL1600675 0.90 AKT1 (0.75) AKT1CDK2
SCHEMBL1600679 0.90 AKT1 (0.75) AKT1CDK2
SCHEMBL1601674 0.90 AKT1 (0.74) AKT1CDK2
SCHEMBL1601074 0.89 AKT1 (0.61) AKT1CDK2
SCHEMBL1600600 0.89 AKT1 (0.76) AKT1CDK2
SCHEMBL1601081 0.89 AKT1 (0.61) AKT1CDK2

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 124/4885CDC7 328/4885
US-20080269243-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 AKT1 23/4885CDK2 124/4885CDC7 328/4885
US-20060154961-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 AKT1 23/4885CDK2 124/4885CDC7 328/4885

“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.