SCHEMBL14241646

SCHEMBL14241646

Nc1ncnc(Nc2cccc(C(=O)O)c2)c1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.71
EGFR P00533 4/20 0.71
KCNH2 Q12809 3/20 0.71
CSNK2A2 P19784 3/20 0.52
CSNK2B P67870 3/20 0.52
CSNK2A1 P68400 3/20 0.52
NR1H4 Q96RI1 1/20 0.50
KDM4E B2RXH2 1/20 0.47
TOP2A P11388 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 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
SCHEMBL14242091 0.87 BTK (0.63) BTKEGFRKCNH2CSNK2A2CSNK2B
SCHEMBL14241647 0.86 BTK (0.62) BTKEGFRKCNH2CSNK2A2CSNK2B
SCHEMBL14165496 0.83 BTK (1.00) BTKEGFRKCNH2
SCHEMBL14165706 0.82 BTK (0.53) BTKEGFRKCNH2
SCHEMBL28156821 0.81 BTK (0.52) BTKEGFRKCNH2
SCHEMBL15804871 0.80 BTK (0.71) BTKEGFRKCNH2
SCHEMBL14165524 0.79 BTK (0.60) BTKEGFRKCNH2
SCHEMBL15804857 0.79 BTK (0.62) BTKEGFRKCNH2
SCHEMBL18557511 0.78 BTK (0.59) BTKEGFRKCNH2KDM4EALDH1A1
SCHEMBL14165859 0.78 BTK (0.68) BTKEGFRKCNH2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718270-B1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2022-04-27 EP disclosed
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.