SCHEMBL12879746

SCHEMBL12879746

CN1C(=O)c2cccnc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TDP2 O95551 1/20 0.52
NSD2 O96028 1/20 0.52
ABL1 P00519 1/20 0.52
PLCG1 P19174 1/20 0.52
CES1 P23141 1/20 0.52
PAX8 Q06710 1/20 0.52
RIN1 Q13671 1/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CASP3 P42574 1/20 0.48
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL14806795 0.83 TDP2 (0.47) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL5154980 0.83 TDP2 (0.47) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL13495402 0.77 CYP2D6 (0.50) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL5031312 0.76 MEN1 (0.52) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL30447750 0.76 MEN1 (0.52) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL11872791 0.76 CYP1A2 (0.59) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL9587960 0.76 PTPRC (0.47) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL13239508 0.75 LMNA (0.48) ALDH1A1MEN1BLMKMT2ACASP3
SCHEMBL8694805 0.74 RXFP1 (0.58) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL14560536 0.73 RXFP1 (0.57) ALDH1A1KMT2AKDM4ESMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022133551-A1 HISTONE DEACETYLASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2022-06-30 WO disclosed
US-9981964-B2 Maleimide derivatives as modulators of wnt pathway AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-29 US disclosed
US-9981964-B2 Maleimide derivatives as modulators of wnt pathway AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-29 US disclosed
US-9981964-B2 Maleimide derivatives as modulators of wnt pathway AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-29 US disclosed
EP-2978820-B1 WAVELENGTH CONVERSION FILMS WITH MULTIPLE PHOTOSTABLE ORGANIC CHROMOPHORES NITTO DENKO CORP (JP) 2018-03-21 EP disclosed
EP-3083622-B1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY SCIENCE TECH & RES (SG) 2018-03-21 EP disclosed
EP-3083622-B1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY SCIENCE TECH & RES (SG) 2018-03-21 EP disclosed
EP-2788450-B1 WAVELENGTH CONVERSION MATERIAL AS ENCAPSULANT FOR SOLAR MODULE SYSTEMS TO ENHANCE SOLAR HARVESTING EFFICIENCY NITTO DENKO CORP (JP) 2017-06-21 EP disclosed
US-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-03 US disclosed
US-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-03 US disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-7384942-B2 3-(2,4-dichlorophenyl)-5-bromoyrazine-2-ylamine; inhibiting the formation of neurofibrillary tangles; neurodegenerative, brain disorders; treatment of Alzheimer's disease with one or more additional agents donepezil or tacrine; anticarcinogenic, antiischemic, antidiabetic; insulin resistance NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-06-10 US disclosed
US-7384942-B2 3-(2,4-dichlorophenyl)-5-bromoyrazine-2-ylamine; inhibiting the formation of neurofibrillary tangles; neurodegenerative, brain disorders; treatment of Alzheimer's disease with one or more additional agents donepezil or tacrine; anticarcinogenic, antiischemic, antidiabetic; insulin resistance NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-06-10 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 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-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY WNT1, WNT3, CTNNB1 ALDH1A1 779/4885TDP2 3885/4885NSD2 1910/4885
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB ALDH1A1 3907/4885TDP2 961/4885NSD2 4241/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 ALDH1A1 2491/4885TDP2 3570/4885NSD2 330/4885

“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.