SCHEMBL17480322

SCHEMBL17480322

Cc1cc(C)c(/C=C2\C(=O)Nc3cc(-c4ccncc4)ccc32)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.66
PDGFRB P09619 3/20 0.65
RET P07949 10/20 0.64
FLT3 P36888 4/20 0.64
ALK Q9UM73 4/20 0.64
ABL1 P00519 2/20 0.64
KDR P35968 4/20 0.62
CSF1R P07333 2/20 0.62
FGFR1 P11362 2/20 0.62
SRC P12931 2/20 0.62
FLT1 P17948 2/20 0.62
FGFR3 P22607 2/20 0.62
MAPK1 P28482 2/20 0.62
FLT4 P35916 2/20 0.62
PDPK1 O15530 2/20 0.62
MAP4K4 O95819 2/20 0.62
CLK4 Q9HAZ1 2/20 0.62
IRAK4 Q9NWZ3 2/20 0.62
PDGFRA P16234 2/20 0.62
MEN1 O00255 1/20 0.62

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
SCHEMBL17480314 0.91 RET (0.77) CHEK1PDGFRBRETFLT3ALK
SCHEMBL8211131 0.88 RET (0.73) CHEK1PDGFRBRETFLT3ALK
SCHEMBL8211128 0.88 RET (0.73) CHEK1PDGFRBRETFLT3ALK
SCHEMBL17480320 0.84 PDGFRB (0.66) CHEK1PDGFRBRETFLT3ALK
SCHEMBL5988888 0.83 RET (0.68) CHEK1PDGFRBRETFLT3ALK
SCHEMBL5989001 0.81 RET (0.69) CHEK1PDGFRBRETFLT3ALK
SCHEMBL8199244 0.80 CHEK1 (0.70) CHEK1PDGFRBRETFLT3ALK
SCHEMBL8199248 0.80 CHEK1 (0.70) CHEK1PDGFRBRETFLT3ALK
SCHEMBL17480317 0.80 RET (0.62) CHEK1PDGFRBRETFLT3ALK
SCHEMBL17480323 0.80 CHEK1 (0.58) CHEK1PDGFRBRETFLT3ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241569-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL INC (US) 2019-08-08 US disclosed
US-20160031888-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL, INC. (US) 2016-02-04 US disclosed
US-20160031888-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL, INC. (US) 2016-02-04 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 (2 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-20190241569-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER MAP3K2, MAP3K1, MAP3K3 CHEK1 71/4885PDGFRB 572/4885RET 348/4885
US-20160031888-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER MAP3K19, MAP3K2, MAP3K3 CHEK1 74/4885PDGFRB 495/4885RET 107/4885

“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.