SCHEMBL3529709

SCHEMBL3529709

Nc1ncc(-c2ccncc2)c2scc(Br)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.59
KDR P35968 5/20 0.47
EPHB4 P54760 5/20 0.44
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
MAPK13 O15264 1/20 0.42
PDPK1 O15530 1/20 0.42
JAK2 O60674 1/20 0.42
CHEK2 O96017 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
INSR P06213 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
LYN P07948 1/20 0.42
MET P08581 1/20 0.42
KIT P10721 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42

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
SCHEMBL3525488 0.88 BTK (0.49) BTKKDREPHB4PLK4AURKA
SCHEMBL3534163 0.88 BTK (0.55) BTKKDREPHB4ABL1NTRK1
SCHEMBL3530830 0.85 EPHB4 (0.60) BTKKDREPHB4BRAFCYP3A4
SCHEMBL10259827 0.83 BTK (0.57) BTKKDREPHB4PLK4AURKA
SCHEMBL3529981 0.82 BTK (0.70) BTKKDREPHB4PLK4AURKA
SCHEMBL3527128 0.82 CYP2A6 (0.49) BTKKDREPHB4CHEK2AURKB
SCHEMBL3535756 0.81 BTK (0.44) BTKKDREPHB4AURKB
SCHEMBL3530274 0.81 BTK (0.49) BTKKDREPHB4PLK4AURKA
SCHEMBL6925932 0.80 BTK (0.54) BTKKDREPHB4PLK4AURKA
SCHEMBL3526975 0.79 EPHB4 (0.52) BTKKDREPHB4AURKAABL1

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
US-8273736-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-7737160-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES INC. (US) 2010-06-15 US disclosed
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
EP-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
CN-1856498-A Thienopyridine and furopyridine kinase inhibitors ABBOTT LAB (US) 2006-11-01 CN disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US disclosed
US-20050020619-A1 Thienopyridine kinase inhibitors ABBOTT LABORATORIES 2005-01-27 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 (5 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-20050020619-A1 Thienopyridine kinase inhibitors ABL1, MAP4K2, MAP4K5 BTK 74/4885KDR 511/4885EPHB4 877/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK BTK 103/4885KDR 494/4885EPHB4 896/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK BTK 103/4885KDR 494/4885EPHB4 896/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK BTK 103/4885KDR 494/4885EPHB4 896/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK BTK 103/4885KDR 494/4885EPHB4 896/4885

“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.