SCHEMBL610883

SCHEMBL610883

CC1(C)COC(c2c(F)cc(F)cc2F)=N1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ATM Q13315 2/20 0.40
IL2 P60568 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL610146 0.90 LMNA (0.43) HTTLMNAMAPTKDM4EATM
SCHEMBL18987373 0.89 LMNA (0.42) HTTLMNAMAPTKDM4EATM
SCHEMBL28139638 0.85 HTT (0.40) HTTLMNAMAPTKDM4EATM
SCHEMBL5778345 0.83 LMNA (0.43) HTTLMNAMAPTKDM4EATM
SCHEMBL2886677 0.82 KDM4E (0.59) HTTLMNAMAPTKDM4EATM
SCHEMBL9088744 0.80 HTT (0.43) HTTLMNAMAPTKDM4EATM
SCHEMBL9330422 0.78 ATM (0.48) HTTLMNAMAPTKDM4EATM
SCHEMBL8630585 0.77 KDM4E (0.47) HTTLMNAMAPTKDM4EATM
SCHEMBL8622918 0.75 HTT (0.47) HTTLMNAMAPTKDM4EATM
SCHEMBL9330931 0.75 ATM (0.51) HTTLMNAMAPTKDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925323-B1 AN INHIBITOR OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2925323-B1 AN INHIBITOR OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-20150290192-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
US-20150290192-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
US-20150290192-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
EP-2925323-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2015-10-07 EP disclosed
CN-104968346-A Inhibitors of bruton's tyrosine kinase HOFFMANN LA ROCHE 2015-10-07 CN disclosed
CN-103153984-B Inhibitors of bruton's tyrosine kinase HOFFMANN LA ROCHE 2015-04-22 CN disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
EP-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US 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 (3 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-20150290192-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, ABL1 HTT 3503/4885LMNA 2550/4885MAPT 3633/4885
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN HTT 4501/4885LMNA 4654/4885MAPT 4109/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN HTT 4501/4885LMNA 4654/4885MAPT 4109/4885

“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.