SCHEMBL533186

SCHEMBL533186

[c]1ccc(N2CCSCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 2/20 0.48
LGMN Q99538 2/20 0.46
AKR1C3 P42330 1/20 0.40
THRB P10828 1/20 0.38
APP P05067 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
AR P10275 2/20 0.33
RAB9A P51151 1/20 0.33
CHKA P35790 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 3/20 0.31

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
SCHEMBL5795262 0.83
SCHEMBL41297 0.78 CHKA (0.52) ALDH1A1MAPTTHRBL3MBTL1L3MBTL3
SCHEMBL114702 0.78 CHKA (0.46) ALDH1A1MAPTTHRBL3MBTL1L3MBTL3
SCHEMBL693166 0.76 ALDH1A1 (0.52) ALDH1A1MAPTTHRBL3MBTL1L3MBTL3
SCHEMBL2167113 0.76 LMNA (0.54) ALDH1A1MAPTLGMNL3MBTL1L3MBTL3
SCHEMBL146936 0.76 ALDH1A1 (0.52) ALDH1A1MAPTTHRBL3MBTL1L3MBTL3
SCHEMBL1900341 0.76 ALDH1A1 (0.52) ALDH1A1MAPTTHRBL3MBTL1L3MBTL3
SCHEMBL3603374 0.75 LGMN (0.41) ALDH1A1MAPTLGMNAKR1C3THRB
SCHEMBL12490848 0.74 ALDH1A1 (0.56) ALDH1A1MAPTLGMNAKR1C3THRB
SCHEMBL45747 0.74 LMNA (0.58) ALDH1A1MAPTLGMNARRAB9A

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 166 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117460736-A Nucleoside derivatives having multi-target phosphorylase inhibitory activity and pharmaceutical compositions for preventing and treating cancer comprising the same 未来制药有限公司 2024-01-26 CN claimed
EP-3237407-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2017-11-01 EP claimed
US-9730914-B2 3,5-diaminopyrazole kinase inhibitors Axikin Pharmaceuticals (US) 2017-08-15 US claimed
US-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-30 US claimed
US-9546163-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-17 US claimed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US claimed
WO-2016106309-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-30 WO claimed
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2016-06-23 US claimed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO claimed
CN-101801949-B Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA NV 2014-09-24 CN claimed
US-20100035870-A1 Pyrimidin-4-yl-3, 4-Dihydro-2H-Pyrrolo[1,2A] Pyrazin-1-one Compounds CYCLACEL LIMITED (GB) 2010-02-11 US claimed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 US claimed
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 US claimed
WO-2009012430-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-22 WO claimed
EP-1984370-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Crystalgenomics, Inc. (KR) 2008-10-29 EP claimed
EP-1940846-A2 PYRIMIDIN-4-YL-3,4-DIHYDRO-2H-PYRROLO[1,2A]PYRAZIN-1-ONE COMPOUNDS Cyclacel Limited (GB) 2008-07-09 EP claimed
WO-2007083978-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CRYSTALGENOMICS, INC. (KR) 2007-07-26 WO claimed
US-7244745-B2 Heterocyclic compounds, methods for the preparation thereof, and uses thereof MEMORY PHARMACEUTICALS CORP. (US) 2007-07-17 US claimed
WO-2007042784-A2 PYRIMIDIN-4-YL-3, 4-DIHYDR0-2H- PYRROLO [1, 2A] PYRAZIN-1-ONE COMPOUNDS CYCLACEL LIMITED (GB) 2007-04-19 WO claimed
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 ALDH1A1 2717/4885MAPT 2030/4885LGMN 3958/4885
US-20100035870-A1 Pyrimidin-4-yl-3, 4-Dihydro-2H-Pyrrolo[1,2A] Pyrazin-1-one Compounds CYP2A13, NR1I3, NR3C2 ALDH1A1 2520/4885MAPT 4582/4885LGMN 4885/4885
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 ALDH1A1 2717/4885MAPT 2030/4885LGMN 3958/4885
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same GSK3B, GSK3A, MAP3K3 ALDH1A1 4274/4885MAPT 119/4885LGMN 2925/4885
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN ALDH1A1 3377/4885MAPT 3391/4885LGMN 4103/4885
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 ALDH1A1 3091/4885MAPT 3324/4885LGMN 3769/4885

“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.