SCHEMBL1600765

SCHEMBL1600765

Nc1nnc(-c2cc(Cl)c3[nH]ncc3c2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.58
QPCTL Q9NXS2 1/20 0.58
KDM4E B2RXH2 8/20 0.51
ALDH1A1 P00352 7/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MGAM O43451 3/20 0.44
GAA P10253 3/20 0.44
SI P14410 3/20 0.44
MGAM2 Q2M2H8 3/20 0.44
NOTUM Q6P988 1/20 0.44
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
ADORA2A P29274 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1601827 0.83 QPCT (0.58) QPCTQPCTLKDM4EALDH1A1MAPT
SCHEMBL1601334 0.74 QPCT (1.00) QPCTQPCTLKDM4EALDH1A1MAPT
SCHEMBL759126 0.71 NOS1 (0.50) KDM4EALDH1A1MAPTGAAADORA2A
SCHEMBL20667602 0.71 ADORA2A (0.42) QPCTQPCTLADORA2A
SCHEMBL1601205 0.70 AKT1 (0.75)
SCHEMBL1601203 0.70 AKT1 (0.75)
SCHEMBL25167318 0.70 ADORA2A (0.51) ADORA2ANOS1
SCHEMBL11331186 0.69 KDM4E (0.66) KDM4EALDH1A1MAPTL3MBTL1MGAM
SCHEMBL22230382 0.69 ADORA2A (0.62) MAPTADORA2ANOS1
SCHEMBL31690852 0.69 ADORA2A (0.50) ADORA2ANOS1

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 12 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
EP-2102197-B1 5-([1,3,4]OXADIAZOL-2-YL)-1H-INDAZOL AND 5-([1,3,4]THIADIAZOL-2-YL)-1H-INDAZOL DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2011-07-13 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-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 US disclosed
US-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 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
WO-2008086854-A1 5-([1,3,4] OXADIAZOL-2-YL)-1H-INDAZOL AND 5-([1,3,4] THIADIAZOL-2-YL)-1H-INDAZOL DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2008-07-24 WO 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 (4 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 4190/4885KDM4E 3312/4885
US-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES SGK2, SGK1, SGK3 QPCT 3506/4885QPCTL 3770/4885KDM4E 1911/4885
US-20080269243-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 QPCT 2416/4885QPCTL 4190/4885KDM4E 3312/4885
US-20060154961-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 QPCT 2416/4885QPCTL 4190/4885KDM4E 3312/4885

“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.