SCHEMBL3529396

SCHEMBL3529396

Nc1nccc2scc(-c3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.68
AURKA O14965 2/20 0.68
AURKB Q96GD4 2/20 0.68
BTK Q06187 9/20 0.62
EPHB4 P54760 1/20 0.54
PLK4 O00444 1/20 0.49
ROCK2 O75116 1/20 0.49
RPS6KA5 O75582 1/20 0.49
MAP4K4 O95819 1/20 0.49
LCK P06239 1/20 0.49
CSF1R P07333 1/20 0.49
LYN P07948 1/20 0.49
RET P07949 1/20 0.49
KIT P10721 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
RPS6KB1 P23443 1/20 0.49
EPHA2 P29317 1/20 0.49
AXL P30530 1/20 0.49

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
SCHEMBL3529742 0.81 KDR (0.79) KDRAURKAAURKBPLK4ROCK2
SCHEMBL3531281 0.81 KDR (1.00) KDRAURKAAURKBEPHB4PLK4
SCHEMBL31060331 0.81 KDR (1.00) KDRAURKAAURKBEPHB4PLK4
SCHEMBL31128937 0.80 KDR (0.59) KDRAURKAAURKBBTKEPHB4
SCHEMBL28803622 0.79 KDR (0.79) KDRAURKAAURKBEPHB4PLK4
SCHEMBL17165793 0.79 KDR (0.77) KDRAURKAAURKBEPHB4PLK4
SCHEMBL3527365 0.77 BTK (1.00) KDRBTK
SCHEMBL3530946 0.76 KDR (1.00) KDRAURKAAURKBPLK4ROCK2
SCHEMBL3529327 0.75 BTK (0.72) KDRBTK
SCHEMBL3525463 0.75 KDR (0.71) KDRAURKAAURKBEPHB4PLK4

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
CN-104945411-A Thieno-[3,2-c] pyridine type compound as well as preparation method and application thereof NANJING BIOSCIKIN LTD 2015-09-30 CN disclosed
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
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 KDR 511/4885AURKA 293/4885AURKB 262/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKA 207/4885AURKB 171/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKA 207/4885AURKB 171/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKA 207/4885AURKB 171/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKA 207/4885AURKB 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.