SCHEMBL12475434

SCHEMBL12475434

NCc1ccc2c(c1)COB2O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
PDE3A Q14432 2/20 0.57
ROCK2 O75116 4/20 0.53
ROCK1 Q13464 4/20 0.53
KLK5 Q9Y337 1/20 0.50
PDE4B Q07343 9/20 0.49
PDE4A P27815 8/20 0.49
PDE4C Q08493 8/20 0.49
PDE4D Q08499 8/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
AKT1 P31749 2/20 0.46
RPS6KA1 Q15418 2/20 0.46
CHRM1 P11229 1/20 0.44
ADRA1A P35348 1/20 0.44
PDE1A P54750 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE7A Q13946 1/20 0.44
PRKCA P17252 1/20 0.43

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
SCHEMBL15981495 0.87 CA1 (0.54) CA1CA2PDE3AROCK2ROCK1
SCHEMBL12475507 0.86 ROCK2 (0.64) CA1CA2ROCK2ROCK1KLK5
Hydrochloric Acid SCHEMBL29456239 0.85 ROCK2 (0.62) CA1CA2ROCK2ROCK1KLK5
Hydrochloric Acid SCHEMBL19838204 0.85 ROCK2 (0.62) CA1CA2ROCK2ROCK1KLK5
SCHEMBL500368 0.84 CA1 (0.59) CA1CA2PDE3AKLK5PDE4B
SCHEMBL5583511 0.84 CA1 (0.59) CA1CA2PDE3AKLK5PDE4B
SCHEMBL2529581 0.84 PDE4B (0.70) PDE3AROCK2ROCK1KLK5PDE4B
SCHEMBL19605204 0.83 CA1 (0.57) CA1CA2PDE3AKLK5PDE4B
SCHEMBL14363857 0.83 CA1 (0.57) CA1CA2PDE3AKLK5PDE4B
Hydrochloric Acid SCHEMBL2530428 0.82 PDE4B (0.68) PDE3AROCK2ROCK1KLK5PDE4B

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 25 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-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
WO-2020131573-A1 COMPOUNDS FOR THE REDUCTION OF THE DELETERIOUS ACTIVITY OF EXTENDED NUCLEOTIDE REPEAT CONTAINING GENES NUREDIS, INC. (US) 2020-06-25 WO 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
US-10266528-B2 2-oxo-imidazopyridines as reversible BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-23 US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 US disclosed
EP-3204382-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-08-16 EP disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 WO disclosed
EP-2673281-B1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS INC (US) 2016-04-13 EP disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 US disclosed
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
EP-2673281-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2013-12-18 EP disclosed
WO-2012109164-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2012-08-16 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 (5 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 CA1 4833/4885CA2 1990/4885PDE3A 1038/4885
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN CA1 4868/4885CA2 3557/4885PDE3A 1610/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN CA1 4882/4885CA2 4062/4885PDE3A 1443/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN CA1 4868/4885CA2 3557/4885PDE3A 1610/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 CA1 2152/4885CA2 3650/4885PDE3A 4641/4885

“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.