SCHEMBL6422876

SCHEMBL6422876

CC(C)(C)C(=Cc1cnc(N)c2c(Br)csc12)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.34
AURKB Q96GD4 8/20 0.34
PLK4 O00444 5/20 0.34
PRKD3 O94806 5/20 0.34
MAP4K4 O95819 5/20 0.34
LCK P06239 5/20 0.34
FYN P06241 5/20 0.34
CSF1R P07333 5/20 0.34
LYN P07948 5/20 0.34
FGFR1 P11362 5/20 0.34
SRC P12931 5/20 0.34
FLT1 P17948 5/20 0.34
FGFR3 P22607 5/20 0.34
RPS6KB1 P23443 5/20 0.34
FLT4 P35916 5/20 0.34
FLT3 P36888 5/20 0.34
BLK P51451 5/20 0.34
NEK2 P51955 5/20 0.34
LIMK1 P53667 5/20 0.34
MAP4K2 Q12851 5/20 0.34

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
SCHEMBL6422871 1.00 KDR (0.34) KDRAURKBPLK4PRKD3MAP4K4
SCHEMBL6422863 0.83 KDR (0.48) KDRAURKBPLK4PRKD3MAP4K4
SCHEMBL6422866 0.83 KDR (0.48) KDRAURKBPLK4PRKD3MAP4K4
SCHEMBL6422550 0.78 KDR (0.49) KDRAURKBPLK4PRKD3MAP4K4
SCHEMBL6422553 0.78 KDR (0.49) KDRAURKBPLK4PRKD3MAP4K4
SCHEMBL6425057 0.77 BTK (0.57) KDRBTK
SCHEMBL3526338 0.76 KDR (0.43) KDRAURKBPLK4PRKD3MAP4K4
SCHEMBL3531482 0.74 EPHB4 (0.36) KDRAURKBPLK4PRKD3MAP4K4
SCHEMBL3534022 0.74 LCK (0.41) KDRAURKBPLK4PRKD3MAP4K4
SCHEMBL3534023 0.74 LCK (0.41) KDRAURKBPLK4PRKD3MAP4K4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 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.