SCHEMBL1600616

SCHEMBL1600616

CNC(CNc1nnc(-c2ccc3[nH]nc(C)c3c2)s1)Cc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.58
CDK2 P24941 16/20 0.58
ROCK1 Q13464 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38

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
SCHEMBL1600613 1.00 AKT1 (0.58) AKT1CDK2ROCK1PIM1PIM3
SCHEMBL1600610 1.00 AKT1 (0.58) AKT1CDK2ROCK1PIM1PIM3
SCHEMBL1599811 0.88 AKT1 (0.60) AKT1CDK2PIM1PIM3
SCHEMBL1599807 0.88 AKT1 (0.60) AKT1CDK2PIM1PIM3
SCHEMBL1599805 0.88 AKT1 (0.60) AKT1CDK2PIM1PIM3
SCHEMBL1600679 0.88 AKT1 (0.75) AKT1CDK2
SCHEMBL1600675 0.88 AKT1 (0.75) AKT1CDK2
Trifluoroacetic Acid SCHEMBL1602118 0.84 AKT1 (0.52) AKT1CDK2PIM1PIM3PIM2
Trifluoroacetic Acid SCHEMBL1602115 0.84 AKT1 (0.52) AKT1CDK2PIM1PIM3PIM2
SCHEMBL1601939 0.83 AKT1 (0.64) AKT1CDK2PIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 124/4885ROCK1 726/4885
US-20080269243-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 AKT1 23/4885CDK2 124/4885ROCK1 726/4885
US-20060154961-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 AKT1 23/4885CDK2 124/4885ROCK1 726/4885

“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.