SCHEMBL16111830

SCHEMBL16111830

CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)CCl)cc32)c1C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.80
PDGFRB P09619 5/20 0.80
FGFR1 P11362 4/20 0.80
EGFR P00533 3/20 0.80
KIT P10721 2/20 0.80
NEK2 P51955 2/20 0.80
MELK Q14680 2/20 0.80
PRKAA1 Q13131 13/20 0.77
PRKAA2 P54646 12/20 0.77
FLT3 P36888 3/20 0.77
GRK5 P34947 3/20 0.77
PLK4 O00444 2/20 0.77
DCLK1 O15075 2/20 0.77
PDPK1 O15530 2/20 0.77
DAPK3 O43293 2/20 0.77
ROCK2 O75116 2/20 0.77
RPS6KA5 O75582 2/20 0.77
RPS6KA4 O75676 2/20 0.77
MAP4K4 O95819 2/20 0.77
CHEK2 O96017 2/20 0.77

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
SCHEMBL16111834 1.00 KDR (0.80) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL16466924 0.92 KDR (0.80) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL19726319 0.92 KDR (0.80) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL16466926 0.92 KDR (0.80) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL12336826 0.90 KDR (0.77) KDRPDGFRBFGFR1EGFRKIT
Su-11652 SCHEMBL2114096 0.89 KDR (1.00) KDRPDGFRBFGFR1EGFRKIT
Su-11652 SCHEMBL21067494 0.89 KDR (1.00) KDRPDGFRBFGFR1EGFRKIT
Su-11652 SCHEMBL29366350 0.89 KDR (1.00) KDRPDGFRBFGFR1EGFRKIT
Su-11652 SCHEMBL2212420 0.89 KDR (1.00) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL15202704 0.89 KDR (0.84) KDRPDGFRBFGFR1EGFRKIT

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 6 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
EP-2970206-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) 2016-01-20 EP disclosed
WO-2014160401-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) 2014-10-02 WO disclosed
WO-2014160401-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) 2014-10-02 WO 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 KDR 484/4885PDGFRB 572/4885FGFR1 505/4885
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 KDR 327/4885PDGFRB 495/4885FGFR1 262/4885

“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.