SCHEMBL3534796

SCHEMBL3534796

Nc1ncc(C=CC(=O)N2CCNC(=O)C2)c2scc(-c3ccccc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.44
KDR P35968 8/20 0.44
AURKB Q96GD4 8/20 0.44
LCK P06239 6/20 0.44
PLK4 O00444 5/20 0.44
MAP4K4 O95819 5/20 0.44
FYN P06241 5/20 0.44
CSF1R P07333 5/20 0.44
LYN P07948 5/20 0.44
FGFR1 P11362 5/20 0.44
SRC P12931 5/20 0.44
FLT1 P17948 5/20 0.44
FGFR3 P22607 5/20 0.44
RPS6KB1 P23443 5/20 0.44
FLT4 P35916 5/20 0.44
CSNK1D P48730 5/20 0.44
BLK P51451 5/20 0.44
LIMK1 P53667 5/20 0.44
MAP4K2 Q12851 5/20 0.44
MINK1 Q8N4C8 5/20 0.44

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
SCHEMBL3534789 1.00 BTK (0.44) BTKKDRAURKBLCKPLK4
SCHEMBL3528591 0.93 BTK (0.52) BTKKDRJAK2METJAK3
SCHEMBL3528590 0.93 BTK (0.52) BTKKDRJAK2METJAK3
SCHEMBL3533903 0.88 KDR (0.49) BTKKDRAURKBLCKPLK4
SCHEMBL3533898 0.88 KDR (0.49) BTKKDRAURKBLCKPLK4
SCHEMBL3530379 0.84 KDR (0.68) BTKKDRAURKBLCKPLK4
SCHEMBL3530384 0.84 KDR (0.68) BTKKDRAURKBLCKPLK4
SCHEMBL27640536 0.82 KDR (0.39) BTKKDRAURKBLCKPLK4
SCHEMBL3619180 0.81 KDR (0.50) BTKKDRAURKBLCKPLK4
SCHEMBL3619184 0.81 KDR (0.50) BTKKDRAURKBLCKPLK4

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 9 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
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 511/4885AURKB 262/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK BTK 103/4885KDR 494/4885AURKB 171/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK BTK 103/4885KDR 494/4885AURKB 171/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK BTK 103/4885KDR 494/4885AURKB 171/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK BTK 103/4885KDR 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.