SCHEMBL13834980

SCHEMBL13834980

CN(C)CCNc1ccc2c(C#N)c[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 10/20 0.43
PIM2 Q9P1W9 9/20 0.43
PIM3 Q86V86 8/20 0.43
HRH3 Q9Y5N1 1/20 0.42
LRRK2 Q5S007 1/20 0.41
TDO2 P48775 1/20 0.41
APP P05067 1/20 0.40
CYP2C19 P33261 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
DNM2 P50570 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL13834917 0.75 LRRK2 (0.45) LRRK2APPROCK2ROCK1CDC42BPA
SCHEMBL12285683 0.70 APP (0.51) LRRK2APPCYP2C19ALDH1A1HPGD
SCHEMBL11454532 0.69 CYP2C19 (0.51) PIM1PIM2PIM3HRH3CYP2C19
SCHEMBL12127758 0.68 APP (0.54) LRRK2APPCYP2C19ROCK2ALDH1A1
SCHEMBL3827956 0.67 LRRK2 (0.53) LRRK2APP
SCHEMBL21274452 0.67 LRRK2 (0.53) LRRK2APPROCK2ROCK1CDC42BPA
SCHEMBL13834754 0.67 LRRK2 (0.53) LRRK2APPROCK2ROCK1CDC42BPA
SCHEMBL13834371 0.64 LRRK2 (0.49) LRRK2APPROCK2ROCK1CDC42BPA
SCHEMBL13835178 0.64 LRRK2 (0.49) LRRK2APPROCK2ROCK1CDC42BPA
SCHEMBL6395494 0.63 NCF1 (0.56) PIM1HRH3CYP2C19KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709997-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
CN-103582637-B Tyrosine kinase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2015-08-12 CN disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
EP-2709997-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2014-03-26 EP disclosed
CN-103582637-A Tyrosine Kinase Inhibitors HOFFMANN LA ROCHE 2014-02-12 CN disclosed
WO-2012156334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 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-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 US disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 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 (1 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-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN PIM1 359/4885PIM2 519/4885PIM3 725/4885

“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.