SCHEMBL1601113

SCHEMBL1601113

Cc1cc2[nH]ncc2cc1-c1nnc(NCC(N)Cc2ccc(Cl)cc2Cl)s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.74
CDK2 P24941 12/20 0.74
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
JAK2 O60674 1/20 0.38
CHEK2 O96017 1/20 0.38
PRKACA P17612 1/20 0.38
GSK3A P49840 1/20 0.38
RPS6KA3 P51812 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PAK1 Q13153 1/20 0.38
DYRK1A Q13627 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
AURKB Q96GD4 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
DCLK1 O15075 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL1601111 1.00 AKT1 (0.74) AKT1CDK2ROCK2ROCK1IRAK4
SCHEMBL1601107 1.00 AKT1 (0.74) AKT1CDK2ROCK2ROCK1IRAK4
SCHEMBL1600897 0.90 AKT1 (0.73) AKT1CDK2ROCK2ROCK1IRAK4
SCHEMBL1600896 0.90 AKT1 (0.73) AKT1CDK2ROCK2ROCK1IRAK4
SCHEMBL1600893 0.90 AKT1 (0.73) AKT1CDK2ROCK2ROCK1IRAK4
SCHEMBL1602010 0.85 AKT1 (1.00) AKT1CDK2ROCK2ROCK1IRAK4
SCHEMBL1602017 0.85 AKT1 (1.00) AKT1CDK2ROCK2ROCK1IRAK4
SCHEMBL1602015 0.85 AKT1 (1.00) AKT1CDK2ROCK2ROCK1IRAK4
SCHEMBL1600919 0.85 AKT1 (0.68) AKT1CDK2ROCK1
SCHEMBL1600926 0.85 AKT1 (0.68) AKT1CDK2ROCK1

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 7 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-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 124/4885ROCK2 548/4885
US-20080269243-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 AKT1 23/4885CDK2 124/4885ROCK2 548/4885
US-20060154961-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 AKT1 23/4885CDK2 124/4885ROCK2 548/4885

“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.