SCHEMBL13835178

SCHEMBL13835178

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.49
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
APP P05067 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
HASPIN Q8TF76 1/20 0.36
DYRK1A Q13627 3/20 0.36
CHUK O15111 7/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
CDC42BPA Q5VT25 2/20 0.35
CDC42BPB Q9Y5S2 2/20 0.35
IKBKB O14920 1/20 0.33
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL13834371 0.84 LRRK2 (0.49) LRRK2IMPDH2IMPDH1APPCCNT1
SCHEMBL13834754 0.75 LRRK2 (0.53) LRRK2IMPDH2IMPDH1APPCCNT1
SCHEMBL21274452 0.75 LRRK2 (0.53) LRRK2IMPDH2IMPDH1APPCCNT1
SCHEMBL3827956 0.75 LRRK2 (0.53) LRRK2IMPDH2IMPDH1APPCCNT1
SCHEMBL13834917 0.68 LRRK2 (0.45) LRRK2IMPDH2IMPDH1APPCCNT1
SCHEMBL18793247 0.67 UPP1 (0.32)
SCHEMBL26675441 0.67 S1PR4 (0.39)
SCHEMBL30600543 0.67 S1PR4 (0.39)
SCHEMBL13835403 0.66 CHUK (0.53) LRRK2IMPDH2IMPDH1DYRK1ACHUK
SCHEMBL12127758 0.66 APP (0.54) LRRK2APPCHUKROCK2HSP90AB1

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
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
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

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 952/4885IMPDH2 3449/4885IMPDH1 2542/4885

“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.