SCHEMBL5830182

SCHEMBL5830182

Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 12/20 1.00
KDR P35968 11/20 1.00
FGFR1 P11362 8/20 1.00
TLK2 Q86UE8 5/20 0.86
PRKAA1 Q13131 8/20 0.79
PRKAA2 P54646 7/20 0.79
RIOK2 Q9BVS4 3/20 0.79
TLK1 Q9UKI8 3/20 0.79
FLT1 P17948 3/20 0.79
PLK4 O00444 3/20 0.79
DCLK1 O15075 3/20 0.79
PDPK1 O15530 3/20 0.79
DAPK3 O43293 3/20 0.79
ROCK2 O75116 3/20 0.79
RPS6KA5 O75582 3/20 0.79
RPS6KA4 O75676 3/20 0.79
MAP4K4 O95819 3/20 0.79
CHEK2 O96017 3/20 0.79
NTRK1 P04629 3/20 0.79
INSR P06213 3/20 0.79

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
SCHEMBL5830179 1.00 PDGFRB (1.00) PDGFRBKDRFGFR1TLK2PRKAA1
Toceranib SCHEMBL29354429 0.93 PDGFRB (1.00) PDGFRBKDRFGFR1TLK2PRKAA1
SCHEMBL31672513 0.93 PDGFRB (0.90) PDGFRBKDRFGFR1TLK2PRKAA1
SCHEMBL2115759 0.93 PDGFRB (0.90) PDGFRBKDRFGFR1TLK2PRKAA1
Toceranib SCHEMBL1673439 0.93 PDGFRB (1.00) PDGFRBKDRFGFR1TLK2PRKAA1
Toceranib SCHEMBL2116670 0.93 PDGFRB (1.00) PDGFRBKDRFGFR1TLK2PRKAA1
SCHEMBL22649592 0.91 PDGFRB (0.87) PDGFRBKDRFGFR1TLK2PRKAA1
Toceranib SCHEMBL29397832 0.90 PDGFRB (0.95) PDGFRBKDRFGFR1TLK2PRKAA1
SCHEMBL22649596 0.90 PDGFRB (0.86) PDGFRBKDRFGFR1TLK2PRKAA1
SCHEMBL31672543 0.89 PDGFRB (0.83) PDGFRBKDRFGFR1TLK2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152759-A1 Combination administration of an indolinone with a chemotherapeutic agent for cell proliferation disorders SUGEN, INC. 2004-08-05 US claimed
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
EP-1476443-A2 PROCESS FOR PREPARING INDOLINONE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20040152759-A1 Combination administration of an indolinone with a chemotherapeutic agent for cell proliferation disorders SUGEN, INC. 2004-08-05 US disclosed
US-20030229229-A1 Process for preparing indolinone derivatives PHARMACIA & UPJOHN COMPANY 2003-12-11 US disclosed
WO-2003070725-A2 PROCESS FOR PREPARING INDOLINONE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
US-20030130280-A1 Treatment of acute myeloid leukemia with indolinone compounds SUGEN, INC. 2003-07-10 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 (4 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 PDGFRB 1410/4885KDR 3047/4885FGFR1 1761/4885
US-20040152759-A1 Combination administration of an indolinone with a chemotherapeutic agent for cell proliferation disorders MKI67, CCNA1, CCNI PDGFRB 3475/4885KDR 3687/4885FGFR1 1091/4885
US-20030130280-A1 Treatment of acute myeloid leukemia with indolinone compounds FLT3, FLI1, MCL1 PDGFRB 123/4885KDR 71/4885FGFR1 48/4885
US-20030229229-A1 Process for preparing indolinone derivatives CYP2B6, CYP2D6, CYP3A4 PDGFRB 1410/4885KDR 3047/4885FGFR1 1761/4885

“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.