SCHEMBL3529381

SCHEMBL3529381

Nc1ccc(-c2csc3c(-c4cncnc4)cnc(N)c23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.58
KDR P35968 7/20 0.56
EPHB4 P54760 5/20 0.52
AURKB Q96GD4 3/20 0.51
AURKA O14965 2/20 0.51
CYP3A4 P08684 1/20 0.47
PLK4 O00444 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
LYN P07948 1/20 0.47
RET P07949 1/20 0.47
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
RPS6KB1 P23443 1/20 0.47

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
SCHEMBL3528912 0.93 BTK (0.61) BTKKDREPHB4AURKBAURKA
SCHEMBL3529981 0.90 BTK (0.70) BTKKDREPHB4AURKBAURKA
SCHEMBL3565790 0.87 BTK (0.67) BTKKDREPHB4AURKBAURKA
SCHEMBL3530501 0.87 EPHB4 (0.69) BTKKDREPHB4AURKBCYP3A4
SCHEMBL3531844 0.86 KDR (0.57) BTKKDREPHB4AURKBAURKA
SCHEMBL3532547 0.83 KDR (0.58) BTKKDREPHB4AURKBAURKA
SCHEMBL3528663 0.82 BTK (0.59) BTKKDREPHB4AURKBAURKA
SCHEMBL3528737 0.82 BTK (0.52) BTKKDREPHB4AURKBAURKA
SCHEMBL3578809 0.82 BTK (0.55) BTKKDREPHB4AURKBAURKA
SCHEMBL3533151 0.81 EPHB4 (0.60) BTKKDREPHB4AURKBAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103087078-A Thienopyridine and furopyridine kinase inhibitors ABBOTT LAB 2013-05-08 CN disclosed
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
EP-1648905-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS Abbott Laboratories (US) 2006-04-26 EP disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
WO-2005010009-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-02-03 WO 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.