SCHEMBL3533322

SCHEMBL3533322

COc1ccc(-c2cnc(N)c3c(-c4ccc(N)cc4)csc23)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 6/20 0.57
BTK Q06187 8/20 0.52
KDR P35968 6/20 0.49
AURKB Q96GD4 5/20 0.49
MAP4K4 O95819 2/20 0.46
ABL1 P00519 2/20 0.46
NTRK1 P04629 2/20 0.46
FYN P06241 2/20 0.46
LYN P07948 2/20 0.46
MET P08581 2/20 0.46
KIT P10721 2/20 0.46
FGFR1 P11362 2/20 0.46
FER P16591 2/20 0.46
AXL P30530 2/20 0.46
FRK P42685 2/20 0.46
BLK P51451 2/20 0.46
STK3 Q13188 2/20 0.46
NTRK3 Q16288 2/20 0.46
NTRK2 Q16620 2/20 0.46
TAOK1 Q7L7X3 2/20 0.46

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
SCHEMBL3533151 0.88 EPHB4 (0.60) EPHB4BTKKDRAURKBMAP4K4
SCHEMBL3528912 0.85 BTK (0.61) EPHB4BTKKDRAURKBMAP4K4
SCHEMBL3577736 0.85 EPHB4 (0.48) EPHB4BTKKDRAURKBMAP4K4
SCHEMBL3531844 0.82 KDR (0.57) EPHB4BTKKDRAURKBMAP4K4
SCHEMBL3529981 0.80 BTK (0.70) EPHB4BTKKDRAURKBMAP4K4
SCHEMBL3565790 0.80 BTK (0.67) EPHB4BTKKDRAURKBMAP4K4
SCHEMBL3529381 0.79 BTK (0.58) EPHB4BTKKDRAURKBMAP4K4
SCHEMBL3530501 0.78 EPHB4 (0.69) EPHB4BTKKDRAURKBLCK
SCHEMBL3532547 0.77 KDR (0.58) EPHB4BTKKDRAURKBMAP4K4
SCHEMBL3535844 0.77 EPHB4 (0.59) EPHB4BTKKDRAURKBMAP4K4

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 EPHB4 877/4885BTK 74/4885KDR 511/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK EPHB4 896/4885BTK 103/4885KDR 494/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK EPHB4 896/4885BTK 103/4885KDR 494/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK EPHB4 896/4885BTK 103/4885KDR 494/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK EPHB4 896/4885BTK 103/4885KDR 494/4885

“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.