SCHEMBL3527042

SCHEMBL3527042

CC(C)(C)OC(=O)Nc1ccc(-c2csc3c(Br)cnc(N)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.49
AURKB Q96GD4 12/20 0.49
PLK4 O00444 7/20 0.49
AURKA O14965 7/20 0.49
ABL1 P00519 7/20 0.49
NTRK1 P04629 7/20 0.49
FYN P06241 7/20 0.49
CSF1R P07333 7/20 0.49
LYN P07948 7/20 0.49
MET P08581 7/20 0.49
KIT P10721 7/20 0.49
FGFR1 P11362 7/20 0.49
BLK P51451 7/20 0.49
NEK2 P51955 7/20 0.49
STK3 Q13188 7/20 0.49
ROCK1 Q13464 7/20 0.49
NTRK2 Q16620 7/20 0.49
FLT1 P17948 6/20 0.49
MAP4K4 O95819 6/20 0.49
INSR P06213 6/20 0.49

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
SCHEMBL3532343 0.88 KDR (0.49) KDRAURKBPLK4AURKAABL1
SCHEMBL3528947 0.87 KDR (0.64) KDRAURKBPLK4AURKAABL1
SCHEMBL5015571 0.84 EPHB4 (0.50) KDRAURKBPLK4AURKAABL1
SCHEMBL3526677 0.83 KDR (0.53) KDRAURKBPLK4AURKAABL1
SCHEMBL3381755 0.80 KDR (0.68) KDRAURKBPLK4AURKAABL1
SCHEMBL3529496 0.77 KDR (0.79) KDRAURKBPLK4AURKAABL1
SCHEMBL6422548 0.76 KDR (0.55) KDRAURKBPLK4AURKAABL1
SCHEMBL17165797 0.75 KDR (0.75) KDRAURKBPLK4AURKAABL1
SCHEMBL3531001 0.75 EPHB4 (0.64) KDRAURKBPLK4AURKAABL1
SCHEMBL14033746 0.74 BRAF (0.76) KDREPHB4CYP3A4

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 8 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
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 511/4885AURKB 262/4885PLK4 528/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885PLK4 442/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885PLK4 442/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885PLK4 442/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885PLK4 442/4885

“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.