SCHEMBL14241647

SCHEMBL14241647

CON(C)C(=O)c1cccc(Nc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.62
EGFR P00533 6/20 0.62
KCNH2 Q12809 5/20 0.62
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
TEK Q02763 2/20 0.43
TEC P42680 1/20 0.42
BMX P51813 1/20 0.42
CD69 Q07108 1/20 0.42
ITK Q08881 1/20 0.42
ERBB4 Q15303 1/20 0.42
GP6 Q9HCN6 1/20 0.42
NUDT5 Q9UKK9 1/20 0.42
KDR P35968 1/20 0.41

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
SCHEMBL14241646 0.86 BTK (0.71) BTKEGFRKCNH2CSNK2A2CSNK2B
SCHEMBL14165581 0.85 BTK (0.49) BTKEGFRKCNH2TECBMX
SCHEMBL29800024 0.85 BTK (0.49) BTKEGFRKCNH2TECBMX
SCHEMBL14242091 0.83 BTK (0.63) BTKEGFRKCNH2CSNK2A2CSNK2B
SCHEMBL14165388 0.80 BTK (0.53) BTKEGFRKCNH2TECBMX
SCHEMBL691626 0.80 EGFR (0.57) EGFR
SCHEMBL14165496 0.77 BTK (1.00) BTKEGFRKCNH2TECBMX
SCHEMBL15804871 0.74 BTK (0.71) BTKEGFRKCNH2TEKTEC
SCHEMBL24363467 0.73 BTK (0.58) BTKEGFRKCNH2TECBMX
SCHEMBL14165524 0.73 BTK (0.60) BTKEGFRKCNH2TECBMX

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10413562-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2019-09-17 US disclosed
US-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2018-07-10 US disclosed
US-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2018-07-10 US disclosed
US-20170136048-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
US-20170136048-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
US-9580449-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2017-02-28 US disclosed
US-9580449-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2017-02-28 US disclosed
US-20150259363-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150259363-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-9073947-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2015-07-07 US disclosed
US-9073947-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2015-07-07 US disclosed
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2014-06-12 US disclosed
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2014-06-12 US disclosed
WO-2012170976-A2 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2012-12-13 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-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK BTK 1/4885EGFR 219/4885KCNH2 2447/4885
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK BTK 1/4885EGFR 219/4885KCNH2 2447/4885
US-10413562-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK BTK 1/4885EGFR 219/4885KCNH2 2447/4885
US-20150259363-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY BTK, SYK, LCK BTK 1/4885EGFR 219/4885KCNH2 2447/4885
US-20170136048-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY BTK, SYK, LCK BTK 1/4885EGFR 219/4885KCNH2 2447/4885

“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.