SCHEMBL351138

SCHEMBL351138

CC(C)(C)c1cc(C(=O)Cl)on1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MAPK14 Q16539 4/20 0.43
RAF1 P04049 2/20 0.38
HCAR2 Q8TDS4 1/20 0.37
CNR2 P34972 8/20 0.37
CNR1 P21554 3/20 0.36
EGFR P00533 1/20 0.36
GRN P28799 2/20 0.33
SORT1 Q99523 2/20 0.33
KDM4E B2RXH2 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL351579 0.82 HCAR2 (0.57) ALDH1A1MAPK14RAF1HCAR2CNR2
SCHEMBL352169 0.81 ALDH1A1 (0.47) ALDH1A1MAPK14RAF1HCAR2CNR2
SCHEMBL352449 0.78 ALDH1A1 (0.49) ALDH1A1MAPK14RAF1HCAR2CNR2
SCHEMBL12747057 0.77 ALDH1A1 (0.47) ALDH1A1MAPK14RAF1CNR2EGFR
SCHEMBL18407336 0.77 ALDH1A1 (0.47) ALDH1A1MAPK14RAF1CNR2CNR1
SCHEMBL5505249 0.75
SCHEMBL9373175 0.74 ALDH1A1 (0.42) ALDH1A1MAPK14RAF1HCAR2CNR2
SCHEMBL6981694 0.74 ALDH1A1 (0.42) ALDH1A1KDM4E
SCHEMBL19886210 0.74 ALDH1A1 (0.49) ALDH1A1MAPK14RAF1CNR2KDM4E
SCHEMBL15121201 0.74 POLB (0.50) ALDH1A1MAPK14RAF1CNR2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3500569-B1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-05-18 EP disclosed
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 EP disclosed
CN-109641892-B 2-oxo-imidazopyridines as reversible BTK inhibitors and uses thereof 默克专利有限公司 2021-07-02 CN disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
EP-3500569-A1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2019-06-26 EP disclosed
US-10266528-B2 2-oxo-imidazopyridines as reversible BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-23 US disclosed
CN-109641892-A 2- oxo-imidazol as reversible BTK inhibitor and pyridine and application thereof 默克专利有限公司 2019-04-16 CN disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 US disclosed
US-20180051024-A1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-22 US disclosed
WO-2018035080-A1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-22 WO disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 WO disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 US disclosed
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
EP-2283001-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 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 (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-10266528-B2 2-oxo-imidazopyridines as reversible BTK inhibitors and uses thereof BTK, SYK, LCK ALDH1A1 4663/4885MAPK14 1014/4885RAF1 477/4885
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN ALDH1A1 4687/4885MAPK14 812/4885RAF1 298/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN ALDH1A1 4730/4885MAPK14 798/4885RAF1 333/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN ALDH1A1 4687/4885MAPK14 812/4885RAF1 298/4885
US-20180051024-A1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK ALDH1A1 4663/4885MAPK14 1014/4885RAF1 477/4885
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 ALDH1A1 2844/4885MAPK14 1347/4885RAF1 2078/4885

“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.