SCHEMBL2116962

SCHEMBL2116962

CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(Br)cc32)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 1.00
PDGFRB P09619 5/20 1.00
FGFR1 P11362 4/20 1.00
EGFR P00533 3/20 1.00
PRKAA1 Q13131 15/20 0.87
PRKAA2 P54646 13/20 0.87
FLT3 P36888 3/20 0.81
PLK4 O00444 2/20 0.81
DCLK1 O15075 2/20 0.81
PDPK1 O15530 2/20 0.81
DAPK3 O43293 2/20 0.81
ROCK2 O75116 2/20 0.81
RPS6KA5 O75582 2/20 0.81
RPS6KA4 O75676 2/20 0.81
MAP4K4 O95819 2/20 0.81
CHEK2 O96017 2/20 0.81
NTRK1 P04629 2/20 0.81
INSR P06213 2/20 0.81
LCK P06239 2/20 0.81
FYN P06241 2/20 0.81

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
SCHEMBL31672480 1.00 KDR (1.00) KDRPDGFRBFGFR1EGFRPRKAA1
SCHEMBL5831195 1.00 KDR (1.00) KDRPDGFRBFGFR1EGFRPRKAA1
SCHEMBL31672443 0.95 KDR (0.90) KDRPDGFRBFGFR1EGFRPRKAA1
SCHEMBL13755232 0.95 KDR (0.90) KDRPDGFRBFGFR1EGFRPRKAA1
SCHEMBL2116322 0.95 KDR (0.90) KDRPDGFRBFGFR1EGFRPRKAA1
SCHEMBL29856520 0.93 PRKAA1 (1.00) KDRPDGFRBFGFR1EGFRPRKAA1
SCHEMBL18651190 0.92 KDR (0.85) KDRPDGFRBFGFR1EGFRPRKAA1
SCHEMBL13755200 0.91 KDR (0.84) KDRPDGFRBFGFR1EGFRPRKAA1
SCHEMBL15202704 0.91 KDR (0.84) KDRPDGFRBFGFR1EGFRPRKAA1
SCHEMBL2115889 0.91 KDR (0.84) KDRPDGFRBFGFR1EGFRPRKAA1

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 13 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-20190241550-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE BOSTON BIOMEDICAL INC (US) 2019-08-08 US disclosed
US-20160075697-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2016-03-17 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
US-9227962-B2 Heterocyclic substituted-3-heteroarylidenyl-2-indolinone derivative BOSTON BIOMEDICAL, INC. (US) 2016-01-05 US 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
US-20140275076-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE BOSTON BIOMEDICAL, INC. 2014-09-18 US disclosed
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2012-04-19 US disclosed
EP-1536783-B1 SOLID FORMULATIONS COMPRISING AN INDOLINONE COMPOUND PFIZER ITALIA SRL (IT) 2008-08-06 EP disclosed
US-7119209-B2 Process for preparing indolinone derivatives PHARMACIA & UPJOHN COMPANY (US) 2006-10-10 US disclosed
US-20050171357-A1 Process for preparing indolinone derivatives PHARMACIA & UPJOHN COMPANY 2005-08-04 US disclosed
US-20030229229-A1 Process for preparing indolinone derivatives PHARMACIA & UPJOHN COMPANY 2003-12-11 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 (8 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-20050171357-A1 Process for preparing indolinone derivatives CYP2B6, CYP2D6, CYP3A4 KDR 3047/4885PDGFRB 1410/4885FGFR1 1761/4885
US-20160075697-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE CYP2C9, DHRS9, HTR3B KDR 2025/4885PDGFRB 873/4885FGFR1 1752/4885
US-20140275076-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE CYP2C9, DHRS9, HTR3B KDR 2025/4885PDGFRB 873/4885FGFR1 1752/4885
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-20030229229-A1 Process for preparing indolinone derivatives CYP2B6, CYP2D6, CYP3A4 KDR 3047/4885PDGFRB 1410/4885FGFR1 1761/4885
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK KDR 395/4885PDGFRB 555/4885FGFR1 462/4885
US-20190241550-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE CYP2C9, DHRS9, HTR3B KDR 2025/4885PDGFRB 873/4885FGFR1 1752/4885
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.