SCHEMBL3529708

SCHEMBL3529708

CCN(CC)CC=Cc1cnc(N)c2c(Br)csc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.43
FYN P06241 10/20 0.43
LYN P07948 8/20 0.43
SRC P12931 7/20 0.43
HCK P08631 3/20 0.43
FGR P09769 1/20 0.43
KDR P35968 10/20 0.36
CSF1R P07333 9/20 0.36
FGFR1 P11362 9/20 0.36
FLT1 P17948 9/20 0.36
MAP4K2 Q12851 9/20 0.36
BLK P51451 8/20 0.36
MAP4K4 O95819 8/20 0.36
RET P07949 8/20 0.36
NTRK2 Q16620 8/20 0.36
FLT3 P36888 8/20 0.36
PLK4 O00444 7/20 0.36
FGFR3 P22607 7/20 0.36
RPS6KB1 P23443 7/20 0.36
FLT4 P35916 7/20 0.36

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
SCHEMBL3529706 1.00 LCK (0.43) LCKFYNLYNSRCHCK
SCHEMBL6422065 0.78 LCK (0.36) LCKFYNLYNSRCHCK
SCHEMBL6422060 0.78 LCK (0.36) LCKFYNLYNSRCHCK
SCHEMBL3530064 0.78 ALDH1A1 (0.34) LCKFYNLYNSRCKDR
SCHEMBL3530726 0.77 LCK (0.59) LCKFYNLYNSRCHCK
SCHEMBL3531341 0.76 BTK (0.57) LCKFYNLYNSRCHCK
SCHEMBL3531346 0.76 BTK (0.57) LCKFYNLYNSRCHCK
SCHEMBL3535331 0.75 LCK (0.57) LCKFYNLYNSRCHCK
SCHEMBL3531446 0.75 LCK (0.62) LCKFYNLYNSRCHCK
SCHEMBL3535338 0.75 LCK (0.57) LCKFYNLYNSRCHCK

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 11 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
EP-1648905-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS Abbott Laboratories (US) 2006-04-26 EP disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
WO-2005010009-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-02-03 WO 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 LCK 12/4885FYN 47/4885LYN 123/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK LCK 3/4885FYN 31/4885LYN 87/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK LCK 3/4885FYN 31/4885LYN 87/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK LCK 3/4885FYN 31/4885LYN 87/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK LCK 3/4885FYN 31/4885LYN 87/4885

“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.