SCHEMBL13835385

SCHEMBL13835385

N#Cc1c[nH]c2nc(-c3ccccc3Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
GAA P10253 1/20 0.49
DYRK1A Q13627 1/20 0.47
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
PTPN1 P18031 1/20 0.40
MCL1 Q07820 1/20 0.39
CHUK O15111 3/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
AR P10275 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13835403 0.83 CHUK (0.53) LRRK2DYRK1AIMPDH2IMPDH1CHUK
SCHEMBL21274452 0.76 LRRK2 (0.53) LRRK2DYRK1AIMPDH2IMPDH1CHUK
SCHEMBL6714815 0.73 L3MBTL1 (0.64) LRRK2L3MBTL1GAAADORA2AADORA1
SCHEMBL13975665 0.72 CHUK (0.41) CHUKADORA2AADORA1AR
SCHEMBL8744696 0.70 L3MBTL1 (0.46) LRRK2L3MBTL1GAAADORA2AADORA1
SCHEMBL13834754 0.69 LRRK2 (0.53) LRRK2DYRK1AIMPDH2IMPDH1CHUK
SCHEMBL3827956 0.69 LRRK2 (0.53) LRRK2DYRK1AIMPDH2IMPDH1CHUK
SCHEMBL13835178 0.66 LRRK2 (0.49) LRRK2DYRK1AIMPDH2IMPDH1CHUK
SCHEMBL13834371 0.66 LRRK2 (0.49) LRRK2DYRK1AIMPDH2IMPDH1CHUK
SCHEMBL5561047 0.66 LRRK2 (0.52) LRRK2L3MBTL1GAADYRK1AIMPDH2

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 11 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
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 952/4885L3MBTL1 3088/4885GAA 918/4885

“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.