SCHEMBL3535441

SCHEMBL3535441

COc1cc(-c2coc3c(I)cnc(N)c23)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.51
KDR P35968 4/20 0.51
PIK3CD O00329 1/20 0.51
EGFR P00533 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CG P48736 1/20 0.51
BACE1 P56817 1/20 0.51
PRKDC P78527 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
SRC P12931 3/20 0.46
PTK6 Q13882 5/20 0.44
FYN P06241 1/20 0.43
LCK P06239 8/20 0.40
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
HCK P08631 4/20 0.39
RET P07949 1/20 0.38
FLT1 P17948 1/20 0.38
EPHB4 P54760 2/20 0.37
TEK Q02763 2/20 0.37

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
SCHEMBL6056822 0.92 ABL1 (0.46) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL3533819 0.84 MAP4K4 (0.46) KDRLCKFLT3RETFLT1
SCHEMBL3529611 0.83 ABL1 (0.53) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL3529621 0.82 LCK (0.57) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL3527690 0.78 ALDH1A1 (0.44) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL3529426 0.78 LCK (0.54) SRCFYNLCKHCKTEK
SCHEMBL3530498 0.73 LCK (0.62) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL20351737 0.73 ABL1 (0.66) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL3530962 0.72 LCK (0.54) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL3530968 0.72 LCK (0.54) ABL1KDRPIK3CDEGFRPIK3CA

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 7 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

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

For each of this compound's patents that has machine-readable text (3 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-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK ABL1 1/4885KDR 494/4885PIK3CD 179/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK ABL1 1/4885KDR 494/4885PIK3CD 179/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK ABL1 1/4885KDR 494/4885PIK3CD 179/4885

“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.