SCHEMBL5863472

SCHEMBL5863472

c1csc(CNC2CCCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
HPGD P15428 5/20 0.56
USP2 O75604 1/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM1A O60341 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL2830909 0.98 L3MBTL1 (0.58) L3MBTL1HPGDUSP2ALDH1A1KDM1A
SCHEMBL2719923 0.91 KDM1A (0.54) L3MBTL1HPGDUSP2ALDH1A1KDM1A
SCHEMBL18663232 0.84 KDM1A (0.59) L3MBTL1HPGDALDH1A1KDM1AKMT2A
SCHEMBL4202090 0.80 CHRM2 (0.50) L3MBTL1HPGDALDH1A1KDM1AKMT2A
SCHEMBL19540778 0.77 KDM1A (0.53) L3MBTL1HPGDUSP2ALDH1A1KDM1A
SCHEMBL2094368 0.77 KDM1A (0.46) L3MBTL1HPGDALDH1A1KDM1AKMT2A
SCHEMBL18677909 0.77 KDM1A (0.52) L3MBTL1HPGDKDM1AKMT2AMEN1
SCHEMBL18677977 0.77 KDM1A (0.52) L3MBTL1HPGDKDM1AKMT2AMEN1
SCHEMBL6896740 0.77 SLC6A2 (0.50) L3MBTL1HPGDKDM1AKMT2AMEN1
SCHEMBL6896744 0.77 SLC6A2 (0.50) L3MBTL1HPGDKDM1AKMT2AMEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3200788-B1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2019-09-18 EP disclosed
EP-2365809-B1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2018-07-18 EP disclosed
US-9926330-B2 Inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2018-03-27 US disclosed
US-20170247388-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2017-08-31 US disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 EP disclosed
WO-2016053769-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-04-07 WO disclosed
US-20080306226-A1 Polymerization Catalyst System Based on Monooxime Ligands FINA TECHNOLOGY, INC. (US) 2008-12-11 US disclosed
US-20080306226-A1 Polymerization Catalyst System Based on Monooxime Ligands FINA TECHNOLOGY, INC. (US) 2008-12-11 US disclosed
WO-2007009976-A1 POLYMERISATION CATALYST SYSTEM BASED ON MONOOXIME LIGANDS TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2007-01-25 WO disclosed
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP 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 (2 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-20170247388-A1 INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK1, IRAK2 L3MBTL1 914/4885HPGD 4568/4885USP2 1576/4885
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC L3MBTL1 1537/4885HPGD 775/4885USP2 1978/4885

“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.