SCHEMBL3533819

SCHEMBL3533819

CC(C)(C)OC(=O)Nc1ccc(-c2coc3c(I)cnc(N)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.46
KDR P35968 3/20 0.44
EPHB4 P54760 2/20 0.44
TEK Q02763 2/20 0.44
MAPKAPK2 P49137 10/20 0.44
FLT1 P17948 2/20 0.44
PLK4 O00444 1/20 0.44
MAPK13 O15264 1/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
NTRK1 P04629 1/20 0.44
LCK P06239 1/20 0.44
CDK1 P06493 1/20 0.44
CSF1R P07333 1/20 0.44
LYN P07948 1/20 0.44
RET P07949 1/20 0.44
FER P16591 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
AXL P30530 1/20 0.44

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
SCHEMBL3535441 0.84 ABL1 (0.51) KDREPHB4TEKFLT1LCK
SCHEMBL3525546 0.80 KDR (0.50) MAP4K4KDRTEKMAPKAPK2FLT1
SCHEMBL3532343 0.80 KDR (0.49) MAP4K4KDRMAPKAPK2FLT1PLK4
SCHEMBL6056822 0.77 ABL1 (0.46) KDRLCKRETFLT3
SCHEMBL3531374 0.77 KDR (0.68) MAP4K4KDRTEKFLT1PLK4
SCHEMBL6057248 0.77 KDR (0.40) MAP4K4KDREPHB4TEKFLT1
SCHEMBL3527042 0.71 KDR (0.49) MAP4K4KDREPHB4MAPKAPK2FLT1
SCHEMBL20370284 0.71 CYP17A1 (0.53) MAP4K4MAPKAPK2CYP17A1PSMB8
SCHEMBL3528947 0.71 KDR (0.64) MAP4K4KDRMAPKAPK2FLT1PLK4
SCHEMBL24549470 0.70 ATR (0.54) MAP4K4MAPKAPK2

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK MAP4K4 40/4885KDR 494/4885EPHB4 896/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK MAP4K4 40/4885KDR 494/4885EPHB4 896/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK MAP4K4 40/4885KDR 494/4885EPHB4 896/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK MAP4K4 40/4885KDR 494/4885EPHB4 896/4885

“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.