SCHEMBL3529932

SCHEMBL3529932

CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4[nH]ccc4c3)csc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.67
LCK P06239 9/20 0.67
AURKB Q96GD4 8/20 0.67
MAP4K4 O95819 8/20 0.67
FYN P06241 8/20 0.67
CSF1R P07333 8/20 0.67
FGFR1 P11362 8/20 0.67
FLT1 P17948 8/20 0.67
MAP4K2 Q12851 8/20 0.67
LYN P07948 7/20 0.67
FGFR3 P22607 7/20 0.67
FLT4 P35916 7/20 0.67
BLK P51451 7/20 0.67
MINK1 Q8N4C8 7/20 0.67
PRKD2 Q9BZL6 7/20 0.67
SLK Q9H2G2 7/20 0.67
FLT3 P36888 7/20 0.67
NEK2 P51955 7/20 0.67
LIMK1 P53667 7/20 0.67
CLK4 Q9HAZ1 7/20 0.67

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
SCHEMBL3529927 1.00 KDR (0.67) KDRLCKAURKBMAP4K4FYN
SCHEMBL3530972 0.93 LCK (0.68) KDRLCKAURKBMAP4K4FYN
SCHEMBL3530966 0.93 LCK (0.68) KDRLCKAURKBMAP4K4FYN
SCHEMBL1378490 0.86 KDR (0.74) KDRLCKAURKBMAP4K4FYN
SCHEMBL1378487 0.86 KDR (0.74) KDRLCKAURKBMAP4K4FYN
SCHEMBL3570321 0.85 LCK (0.62) KDRLCKAURKBMAP4K4FYN
SCHEMBL3570319 0.85 LCK (0.62) KDRLCKAURKBMAP4K4FYN
SCHEMBL3530915 0.85 LCK (0.63) KDRLCKAURKBMAP4K4FYN
SCHEMBL3530921 0.85 LCK (0.63) KDRLCKAURKBMAP4K4FYN
SCHEMBL3568524 0.85 LCK (0.77) KDRLCKAURKBMAP4K4FYN

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 KDR 511/4885LCK 12/4885AURKB 262/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885LCK 3/4885AURKB 171/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885LCK 3/4885AURKB 171/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885LCK 3/4885AURKB 171/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885LCK 3/4885AURKB 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.