SCHEMBL13834917

SCHEMBL13834917

CN(C)Cc1ccc2c(C#N)c[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.45
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
CDC42BPA Q5VT25 2/20 0.43
CDC42BPB Q9Y5S2 2/20 0.43
SLC6A4 P31645 4/20 0.36
IMPDH2 P12268 2/20 0.36
IMPDH1 P20839 1/20 0.36
APP P05067 1/20 0.35
CHUK O15111 1/20 0.35
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
SLC6A2 P23975 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
HASPIN Q8TF76 1/20 0.34

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
SCHEMBL13834980 0.75 PIM1 (0.43) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL13803982 0.73 MEN1 (0.45) LRRK2
SCHEMBL21274452 0.71 LRRK2 (0.53) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL13834754 0.71 LRRK2 (0.53) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL3827956 0.71 LRRK2 (0.53) LRRK2IMPDH2IMPDH1APPCHUK
SCHEMBL28949050 0.70 CHUK (0.44) LRRK2IMPDH2CHUK
SCHEMBL13860957 0.70 LRRK2 (0.65) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL13834371 0.68 LRRK2 (0.49) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL13835178 0.68 LRRK2 (0.49) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL5925823 0.66 AXL (0.37) APP

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 10 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
CN-103582637-A Tyrosine Kinase Inhibitors HOFFMANN LA ROCHE 2014-02-12 CN disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 US 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

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 LRRK2 952/4885ROCK2 528/4885ROCK1 295/4885

“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.