SCHEMBL2858690

SCHEMBL2858690

COc1cccc2c(C(=O)O)n[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.54
DYRK1A Q13627 1/20 0.54
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 5/20 0.54
GAA P10253 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
MCL1 Q07820 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 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
SCHEMBL31673022 0.86 KDM4E (0.50) CDK9DYRK1AKDM4EALDH1A1HPGD
SCHEMBL7356720 0.86 KDM4E (0.59) CDK9DYRK1AKDM4EALDH1A1HPGD
SCHEMBL7224237 0.84 KDM4E (0.48) CDK9DYRK1AKDM4EALDH1A1HPGD
SCHEMBL7373630 0.82 KDM4E (0.53) KDM4EALDH1A1HPGDL3MBTL1POLB
SCHEMBL2857475 0.81 TRPA1 (0.49) CDK9DYRK1AKDM4EALDH1A1HPGD
SCHEMBL16235687 0.80 MCL1 (0.46) KDM4EGAAMEN1KMT2AMAPT
SCHEMBL7374645 0.80 PRKAG1 (0.46) CDK9DYRK1AKDM4EALDH1A1HPGD
SCHEMBL1176205 0.79 PRKAG1 (0.43) CDK9DYRK1AKDM4EHPGDL3MBTL1
SCHEMBL1966278 0.79 PRKAG1 (0.43) CDK9DYRK1AKDM4EALDH1A1HPGD
SCHEMBL8715749 0.79 SRD5A2 (0.49) L3MBTL1MAPTHTT

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-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 EP claimed
US-20250257051-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS TYK2 INHIBITORS 1910 GENETICS INC (US) 2025-08-14 US disclosed
WO-2024026430-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS TYK2 INHIBITORS 1910 GENETICS INC. (US) 2024-02-01 WO disclosed
EP-2742040-B1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
US-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-10-16 US disclosed
EP-2742040-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-06-18 EP disclosed
WO-2013024011-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 WO disclosed
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF NGUYEN TRUC MINH 2010-01-21 US disclosed
EP-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 EP disclosed
US-7625924-B2 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-01 US disclosed
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2006-07-27 US disclosed
WO-1991001316-A1 NEW 9-AZABICYCLO[3.3.1]NONANE-DERIVATE BEECHAM GROUP PLC (GB) 1991-02-07 WO 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-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CYP3A43, INSR, CYP2C19 CDK9 1296/4885DYRK1A 1068/4885KDM4E 3432/4885
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof CHRNA7, CHRNA5, CHRNA6 CDK9 2287/4885DYRK1A 2366/4885KDM4E 3928/4885
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA6 CDK9 2287/4885DYRK1A 2366/4885KDM4E 3928/4885
US-20250257051-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS TYK2 INHIBITORS TYK2, PDXK, JAK1 CDK9 20/4885DYRK1A 151/4885KDM4E 792/4885

“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.