SCHEMBL1601248

SCHEMBL1601248

NC(CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccccc1Cl

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.81
CDK2 P24941 13/20 0.81
QPCT Q16769 1/20 0.49
QPCTL Q9NXS2 1/20 0.49
ROCK2 O75116 2/20 0.47
PIM1 P11309 1/20 0.47
GSK3B P49841 1/20 0.47
AURKB Q96GD4 1/20 0.47
TRPA1 O75762 1/20 0.46
SGK1 O00141 1/20 0.44

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
SCHEMBL1601246 1.00 AKT1 (0.81) AKT1CDK2QPCTQPCTLROCK2
SCHEMBL1601242 1.00 AKT1 (0.81) AKT1CDK2QPCTQPCTLROCK2
SCHEMBL1602017 0.90 AKT1 (1.00) AKT1CDK2QPCTQPCTLROCK2
SCHEMBL1602015 0.90 AKT1 (1.00) AKT1CDK2QPCTQPCTLROCK2
SCHEMBL1602010 0.90 AKT1 (1.00) AKT1CDK2QPCTQPCTLROCK2
SCHEMBL1599833 0.89 AKT1 (0.69) AKT1CDK2QPCTQPCTLROCK2
SCHEMBL1599831 0.89 AKT1 (0.69) AKT1CDK2QPCTQPCTLROCK2
SCHEMBL1599832 0.89 AKT1 (0.69) AKT1CDK2QPCTQPCTLROCK2
SCHEMBL1600874 0.88 AKT1 (0.68) AKT1CDK2QPCTQPCTLROCK2
SCHEMBL1600870 0.88 AKT1 (0.68) AKT1CDK2QPCTQPCTLROCK2

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 124/4885QPCT 2416/4885
US-20080269243-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 AKT1 23/4885CDK2 124/4885QPCT 2416/4885
US-20060154961-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 AKT1 23/4885CDK2 124/4885QPCT 2416/4885

“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.