SCHEMBL1600720

SCHEMBL1600720

Nc1nnc(-c2cc3cn[nH]c3cn2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.61
QPCTL Q9NXS2 2/20 0.61
PIM1 P11309 5/20 0.44
PIM3 Q86V86 3/20 0.44
PIM2 Q9P1W9 3/20 0.44
ROCK2 O75116 8/20 0.43
CHEK1 O14757 1/20 0.42
GSK3B P49841 2/20 0.41
AURKB Q96GD4 2/20 0.41
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
ROCK1 Q13464 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1601334 0.76 QPCT (1.00) QPCTQPCTLPIM1PIM3PIM2
SCHEMBL1602031 0.75 QPCT (0.59) QPCTQPCTLPIM1PIM3PIM2
SCHEMBL1600699 0.74 QPCT (0.58) QPCTQPCTLPIM1PIM3PIM2
SCHEMBL16371204 0.69 CHEK1 (0.57) QPCTQPCTLPIM1PIM3PIM2
SCHEMBL20488712 0.66 PIM1 (0.58) PIM1PIM3PIM2ROCK2CHEK1
SCHEMBL8296660 0.65 CHEK1 (0.47) PIM1PIM3PIM2ROCK2CHEK1
SCHEMBL30544647 0.65 CHEK1 (0.47) PIM1PIM3PIM2ROCK2CHEK1
SCHEMBL1600765 0.65 QPCT (0.58) QPCTQPCTLPIM1PIM3PIM2
SCHEMBL1601827 0.65 QPCT (0.58) QPCTQPCTLPIM1PIM3PIM2
SCHEMBL14703784 0.65 PIM1 (0.56) PIM1PIM3PIM2ROCK2CHEK1

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 21 patents — showing the first 20. 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
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-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
EP-1809282-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2007-07-25 EP disclosed
US-20060154961-A1 Thiadiazole compounds and methods of use AMGEN INC. 2006-07-13 US disclosed
WO-2006044860-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-04-27 WO 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 QPCT 2416/4885QPCTL 4190/4885PIM1 336/4885
US-20080269243-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 QPCT 2416/4885QPCTL 4190/4885PIM1 336/4885
US-20060154961-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 QPCT 2416/4885QPCTL 4190/4885PIM1 336/4885

“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.