SCHEMBL2028049

SCHEMBL2028049

C[Si](C)(C)CCOCn1ncc(C#N)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
XDH P47989 2/20 0.36
KDM4E B2RXH2 8/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 1/20 0.35
F2 P00734 1/20 0.35
ALDH1A1 P00352 5/20 0.33
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
ABL1 P00519 1/20 0.33
KDR P35968 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
HPGD P15428 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CSNK2A1 P68400 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31

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
SCHEMBL30971585 0.83 DGAT1 (0.34) PKM
SCHEMBL15500615 0.80 MAPT (0.33) ALDH1A1POLBHTTSMN1; SMN2LMNA
SCHEMBL15562123 0.78 DGAT1 (0.36) ALOX5APFEN1NPC1
SCHEMBL30797402 0.75 NPC1 (0.34) HTTNPC1
SCHEMBL14821056 0.75 CSNK2A1 (0.40) CSNK2A1
SCHEMBL12582909 0.74 DGAT1 (0.30)
SCHEMBL14824076 0.74 BUB1 (0.32) CSNK2A1
SCHEMBL2077800 0.74 PKM (0.50) PKMFNTAFNTBXDHKDM4E
SCHEMBL30101425 0.73 NPC1 (0.34) KDM4EKMT2AMEN1ALDH1A1KDR
SCHEMBL31038919 0.73 DGAT1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111303159-A Pyrazole carboxamide compounds for the treatment of diseases mediated by Bruton's Tyrosine Kinase (BTK) 豪夫迈·罗氏有限公司 2020-06-19 CN disclosed
US-20200181154-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2020-06-11 US disclosed
CN-106922146-B Pyrazole carboxamide compounds for the treatment of diseases mediated by Bruton's Tyrosine Kinase (BTK) 豪夫迈·罗氏有限公司 2020-05-26 CN disclosed
US-20190194209-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2019-06-27 US disclosed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
US-20180057500-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-03-01 US disclosed
EP-3201186-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS FOR USE IN THE TREAMENT OF DISORDERS MEDIATED BY BRUTON'S TYROSINE KINASE (BTK) F. Hoffmann-La Roche AG (CH) 2017-08-09 EP disclosed
EP-2758377-B1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-08-02 EP disclosed
EP-2758389-B1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-06-07 EP disclosed
WO-2013040863-A1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013041042-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013043964-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2012156334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 WO disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 US disclosed
US-20110130393-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-06-02 US disclosed
US-20110130393-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-06-02 US disclosed
US-20110130393-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-06-02 US disclosed
WO-2010014453-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-02-04 WO disclosed
WO-2010014453-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-02-04 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-20180057500-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE BTK, IRAK3, IRAK1 PKM 422/4885FNTA 3314/4885FNTB 2973/4885
US-20200181154-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE BTK, IRAK3, IRAK1 PKM 422/4885FNTA 3314/4885FNTB 2973/4885
US-20110130393-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 PKM 2053/4885FNTA 3053/4885FNTB 3677/4885
US-20190194209-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE BTK, IRAK3, IRAK1 PKM 422/4885FNTA 3314/4885FNTB 2973/4885
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN PKM 2195/4885FNTA 4111/4885FNTB 4187/4885

“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.