SCHEMBL3530457

SCHEMBL3530457

Nc1ncc(I)c2scc(-c3ccccc3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.54
KDR P35968 5/20 0.54
MAP4K4 O95819 2/20 0.54
ABL1 P00519 2/20 0.54
NTRK1 P04629 2/20 0.54
LCK P06239 2/20 0.54
CSF1R P07333 2/20 0.54
RET P07949 2/20 0.54
FGFR1 P11362 2/20 0.54
FLT1 P17948 2/20 0.54
TYRO3 Q06418 2/20 0.54
MAP4K2 Q12851 2/20 0.54
DYRK1A Q13627 2/20 0.54
NTRK3 Q16288 2/20 0.54
NTRK2 Q16620 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
DAPK3 O43293 1/20 0.54
PRKD3 O94806 1/20 0.54
MET P08581 1/20 0.54
PDGFRB P09619 1/20 0.54

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
SCHEMBL3529327 0.88 BTK (0.72) BTKKDR
SCHEMBL3377004 0.88 KDR (0.54) BTKKDRMAP4K4ABL1NTRK1
SCHEMBL3565790 0.81 BTK (0.67) BTKKDRMAP4K4ABL1NTRK1
SCHEMBL3524727 0.77 KDR (0.53) BTKKDRMAP4K4ABL1NTRK1
SCHEMBL3526917 0.75 EPHB4 (0.56) BTKLCKEPHB4
SCHEMBL3534163 0.74 BTK (0.55) BTKKDRMAP4K4ABL1NTRK1
SCHEMBL3526550 0.74 EPHB4 (0.39) BTKEPHB4
SCHEMBL3533728 0.73 KDR (0.54) BTKKDRMAP4K4ABL1NTRK1
SCHEMBL3533724 0.73 KDR (0.54) BTKKDRMAP4K4ABL1NTRK1
SCHEMBL3528912 0.73 BTK (0.61) BTKKDRMAP4K4ABL1NTRK1

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 511/4885MAP4K4 32/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK BTK 103/4885KDR 494/4885MAP4K4 40/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK BTK 103/4885KDR 494/4885MAP4K4 40/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK BTK 103/4885KDR 494/4885MAP4K4 40/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK BTK 103/4885KDR 494/4885MAP4K4 40/4885

“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.