SCHEMBL14165263

SCHEMBL14165263

Nc1ncnc(N[C@@H]2CCNC2)c1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.61
KCNH2 Q12809 4/20 0.57
EGFR P00533 2/20 0.56
LCK P06239 3/20 0.52
SRC P12931 2/20 0.52
TEC P42680 1/20 0.49
BMX P51813 1/20 0.49
CD69 Q07108 1/20 0.49
ITK Q08881 1/20 0.49
ERBB4 Q15303 1/20 0.49
GP6 Q9HCN6 1/20 0.49
NUDT5 Q9UKK9 1/20 0.49
TEK Q02763 2/20 0.49
KDR P35968 1/20 0.45
CHEK1 O14757 1/20 0.45
PRMT5 O14744 1/20 0.45

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
SCHEMBL14165264 1.00 BTK (0.61) BTKKCNH2EGFRLCKSRC
SCHEMBL14165937 0.94 BTK (0.60) BTKKCNH2EGFRLCKSRC
SCHEMBL14165552 0.94 BTK (0.60) BTKKCNH2EGFRLCKSRC
SCHEMBL14165553 0.94 BTK (0.60) BTKKCNH2EGFRLCKSRC
SCHEMBL14165430 0.93 BTK (0.66) BTKKCNH2EGFRLCKSRC
SCHEMBL24363230 0.85 BTK (0.69) BTKKCNH2EGFRLCKSRC
SCHEMBL14165781 0.84 BTK (0.64) BTKKCNH2EGFRLCKSRC
SCHEMBL24363496 0.84 BTK (0.68) BTKKCNH2EGFRLCKSRC
SCHEMBL14165704 0.83 BTK (0.70) BTKKCNH2EGFRLCKTEC
SCHEMBL14165691 0.83 BTK (0.70) BTKKCNH2EGFRLCKTEC

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-4056562-A1 HETEROCYCLIC INHIBITORS OF BRUTON'S TYROSINE KINASE Merck Patent GmbH (DE) 2022-09-14 EP disclosed
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
CN-106831732-B Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity 默克专利有限公司 2019-12-24 CN 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-20180243324-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2018-08-30 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
CN-106831732-A The composition and method of pyrimidine and pyridine compounds of the production with BTK inhibitory activity 默克专利有限公司 2017-06-13 CN 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-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-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
CN-103814016-A Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity MERCK PATENT GMBH 2014-05-21 CN disclosed
EP-2718270-A2 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY Merck Patent GmbH (DE) 2014-04-16 EP 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 (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-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK BTK 1/4885KCNH2 2447/4885EGFR 219/4885
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK BTK 1/4885KCNH2 2447/4885EGFR 219/4885
US-20180243324-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY BTK, SYK, LCK BTK 1/4885KCNH2 2447/4885EGFR 219/4885
US-10413562-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK BTK 1/4885KCNH2 2447/4885EGFR 219/4885
US-20150259363-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY BTK, SYK, LCK BTK 1/4885KCNH2 2447/4885EGFR 219/4885
US-20170136048-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY BTK, SYK, LCK BTK 1/4885KCNH2 2447/4885EGFR 219/4885

“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.