SCHEMBL1601334

SCHEMBL1601334

Nc1nnc(-c2ccc3[nH]ncc3c2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 1.00
QPCTL Q9NXS2 2/20 1.00
PIM1 P11309 6/20 0.62
PIM3 Q86V86 3/20 0.62
PIM2 Q9P1W9 3/20 0.62
ROCK2 O75116 6/20 0.58
GSK3B P49841 4/20 0.58
AURKB Q96GD4 3/20 0.58
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
ROCK1 Q13464 1/20 0.51
HIF1A Q16665 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CLK1 P49759 2/20 0.51

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
SCHEMBL12696151 0.78 PIM1 (1.00) QPCTQPCTLPIM1PIM3PIM2
SCHEMBL1600720 0.76 QPCT (0.61) QPCTQPCTLPIM1PIM3PIM2
SCHEMBL1602031 0.75 QPCT (0.59) QPCTQPCTLPIM1PIM3PIM2
SCHEMBL2187919 0.74 QPCT (0.58) QPCTQPCTLPIM1PIM3ROCK2
SCHEMBL3668053 0.74 ROCK2 (1.00) QPCTQPCTLPIM1PIM3ROCK2
SCHEMBL1600699 0.74 QPCT (0.58) QPCTQPCTLPIM1PIM3PIM2
SCHEMBL3800526 0.74 QPCT (0.58) QPCTQPCTLPIM1ROCK2GSK3B
SCHEMBL1600765 0.74 QPCT (0.58) QPCTQPCTLPIM1PIM3PIM2
SCHEMBL1601827 0.74 QPCT (0.58) QPCTQPCTLPIM1PIM3PIM2
SCHEMBL7233066 0.72 MGAM (0.58) QPCTQPCTLPIM1PIM3PIM2

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 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
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-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
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.