SCHEMBL3487517

SCHEMBL3487517

COc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.85
PDGFRB P09619 8/20 0.85
FGFR1 P11362 6/20 0.71
SRC P12931 7/20 0.71
RET P07949 6/20 0.68
ALK Q9UM73 6/20 0.68
LCK P06239 5/20 0.68
PDGFRA P16234 5/20 0.68
LRRK2 Q5S007 5/20 0.68
MEN1 O00255 1/20 0.65
RGS12 O14924 1/20 0.65
NPC1 O15118 1/20 0.65
GMNN O75496 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
CYP1A2 P05177 1/20 0.65
FYN P06241 1/20 0.65
YES1 P07947 1/20 0.65
LYN P07948 1/20 0.65
CYP3A4 P08684 1/20 0.65

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
SCHEMBL15202711 0.85 PDGFRB (0.75) KDRPDGFRBFGFR1SRCRET
SCHEMBL7838947 0.83 FGFR1 (1.00) KDRPDGFRBFGFR1SRCRET
SCHEMBL7838948 0.83 FGFR1 (1.00) KDRPDGFRBFGFR1SRCRET
SCHEMBL2196602 0.83 KDR (1.00) KDRPDGFRBFGFR1SRCRET
SCHEMBL14519097 0.83 KDR (1.00) KDRPDGFRBFGFR1SRCRET
SCHEMBL2196609 0.83 KDR (1.00) KDRPDGFRBFGFR1SRCRET
SCHEMBL14519102 0.83 PDGFRB (0.75) KDRPDGFRBFGFR1SRCRET
SCHEMBL14519101 0.83 PDGFRB (0.75) KDRPDGFRBFGFR1SRCRET
SCHEMBL12335930 0.82 KDR (0.71) KDRPDGFRBFGFR1SRCRET
SCHEMBL1062998 0.82 KDR (1.00) KDRPDGFRBFGFR1SRCRET

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-20100035251-A1 BioMarkers for the Progression of Alzheimer's Disease HE YUNSHENG 2010-02-11 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-20100035251-A1 BioMarkers for the Progression of Alzheimer's Disease LRRK2, PSEN2, CLK2 KDR 1446/4885PDGFRB 3264/4885FGFR1 1717/4885

“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.