SCHEMBL3531001

SCHEMBL3531001

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 6/20 0.64
KDR P35968 6/20 0.54
AURKB Q96GD4 3/20 0.54
AURKA O14965 2/20 0.54
BTK Q06187 11/20 0.48
MAP4K4 O95819 2/20 0.48
ABL1 P00519 2/20 0.48
NTRK1 P04629 2/20 0.48
LCK P06239 2/20 0.48
CSF1R P07333 2/20 0.48
RET P07949 2/20 0.48
FGFR1 P11362 2/20 0.48
FLT1 P17948 2/20 0.48
TYRO3 Q06418 2/20 0.48
MAP4K2 Q12851 2/20 0.48
DYRK1A Q13627 2/20 0.48
NTRK3 Q16288 2/20 0.48
NTRK2 Q16620 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
PLK4 O00444 1/20 0.48

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 0.86 BTK (0.61) EPHB4KDRAURKBAURKABTK
SCHEMBL3525488 0.83 BTK (0.49) EPHB4KDRAURKBAURKABTK
SCHEMBL3377004 0.82 KDR (0.54) EPHB4KDRAURKBAURKABTK
SCHEMBL3565790 0.81 BTK (0.67) EPHB4KDRAURKBAURKABTK
SCHEMBL3529981 0.81 BTK (0.70) EPHB4KDRAURKBAURKABTK
SCHEMBL3531844 0.79 KDR (0.57) EPHB4KDRAURKBAURKABTK
SCHEMBL3529381 0.79 BTK (0.58) EPHB4KDRAURKBAURKABTK
SCHEMBL4472583 0.79 EPHB4 (1.00) EPHB4KDRAURKBAURKABTK
SCHEMBL3532547 0.77 KDR (0.58) EPHB4KDRAURKBAURKABTK
SCHEMBL5015571 0.77 EPHB4 (0.50) EPHB4KDRAURKBAURKABTK

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
WO-2015157360-A1 PROCESSES TO MAKE PROTEIN KINASE INHIBITORS ABBVIE INC. (US) 2015-10-15 WO claimed
WO-2015157360-A1 PROCESSES TO MAKE PROTEIN KINASE INHIBITORS ABBVIE INC. (US) 2015-10-15 WO disclosed
WO-2015157360-A1 PROCESSES TO MAKE PROTEIN KINASE INHIBITORS ABBVIE INC. (US) 2015-10-15 WO 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
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 EPHB4 877/4885KDR 511/4885AURKB 262/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK EPHB4 896/4885KDR 494/4885AURKB 171/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK EPHB4 896/4885KDR 494/4885AURKB 171/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK EPHB4 896/4885KDR 494/4885AURKB 171/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK EPHB4 896/4885KDR 494/4885AURKB 171/4885

“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.