SCHEMBL1600730

SCHEMBL1600730

O=C1c2ccccc2C(=O)N1[C@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.67
▸ DNMT1 P26358 3/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ DNMT3B Q9UBC3 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ MAPT P10636 5/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ GAA P10253 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.52
▸ STAT3 P40763 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ APAF1 O14727 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MPO P05164 1/20 0.49

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
SCHEMBL1600733 1.00 KMT2A (0.67) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL14625611 0.81 KMT2A (0.67) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL562060 0.81 KMT2A (1.00) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL11949518 0.81 KMT2A (1.00) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL164192 0.81 KMT2A (1.00) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL30167914 0.81 KMT2A (1.00) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL5306820 0.80 KMT2A (0.80) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL5306824 0.80 KMT2A (0.80) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL5287501 0.78 KMT2A (0.62) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL5287512 0.78 KMT2A (0.62) KMT2ADNMT1CYP2C19DNMT3BPKM

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 18 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-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
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-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
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 KMT2A 3036/4885DNMT1 1874/4885CYP2C19 2138/4885
US-20080269243-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 KMT2A 3036/4885DNMT1 1874/4885CYP2C19 2138/4885
US-20060154961-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 KMT2A 3036/4885DNMT1 1874/4885CYP2C19 2138/4885

“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.

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