SCHEMBL2115444

SCHEMBL2115444

CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cc(C(=O)O)ccc32)c1C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA1 Q13131 13/20 0.80
KDR P35968 12/20 0.80
PRKAA2 P54646 11/20 0.80
PDGFRB P09619 5/20 0.76
FGFR1 P11362 4/20 0.76
EGFR P00533 3/20 0.72
FLT3 P36888 3/20 0.72
GRK5 P34947 3/20 0.72
PLK4 O00444 2/20 0.72
DCLK1 O15075 2/20 0.72
PDPK1 O15530 2/20 0.72
DAPK3 O43293 2/20 0.72
ROCK2 O75116 2/20 0.72
RPS6KA5 O75582 2/20 0.72
RPS6KA4 O75676 2/20 0.72
MAP4K4 O95819 2/20 0.72
CHEK2 O96017 2/20 0.72
NTRK1 P04629 2/20 0.72
INSR P06213 2/20 0.72
LCK P06239 2/20 0.72

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
SCHEMBL13755240 1.00 PRKAA1 (0.80) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL31672467 1.00 PRKAA1 (0.80) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL16466926 0.93 KDR (0.80) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL16466924 0.93 KDR (0.80) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL7678649 0.92 KDR (0.69) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL29856331 0.90 PRKAA1 (0.84) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL30685863 0.89 PRKAA1 (0.74) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL29856676 0.89 KDR (1.00) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL29856317 0.89 PRKAA1 (1.00) PRKAA1KDRPRKAA2PDGFRBFGFR1
SCHEMBL29856520 0.89 PRKAA1 (1.00) PRKAA1KDRPRKAA2PDGFRBFGFR1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101056632-B Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2011-12-07 CN claimed
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 EP claimed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US claimed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 EP claimed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 WO claimed
EP-3246046-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2017-11-22 EP disclosed
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2012-04-19 US disclosed
WO-2010120387-A1 OLIGOMER-PROTEIN TYROSINE KINASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS (US) 2010-10-21 WO disclosed
US-7572924-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2009-08-11 US disclosed
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 EP disclosed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US disclosed
EP-1536783-B1 SOLID FORMULATIONS COMPRISING AN INDOLINONE COMPOUND PFIZER ITALIA SRL (IT) 2008-08-06 EP disclosed
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. 2004-09-23 US disclosed
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2004-04-01 US disclosed
US-20030216410-A1 Combination therapy for the treatment of cancer PHARMACIA CORPORATION 2003-11-20 US disclosed
US-6573293-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-03 US disclosed
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN. INC. 2003-05-29 US disclosed
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PHARMACIA & UPJOHN COMPANY LLC 2002-10-24 US disclosed
WO-2002081466-A1 PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES SUGEN, INC. (US) 2002-10-17 WO disclosed
CN-1151187-A Subtilisin 309 variants having decreased absorption and increased hydrolysis PROCTER & GAMBLE (US) 1997-06-04 CN 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 (7 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-20030216410-A1 Combination therapy for the treatment of cancer PTGS2, PTGES2, PTGFR PRKAA1 896/4885KDR 498/4885PRKAA2 612/4885
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 PRKAA1 56/4885KDR 1081/4885PRKAA2 54/4885
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, FRK, PTK2B PRKAA1 237/4885KDR 204/4885PRKAA2 192/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 PRKAA1 56/4885KDR 1081/4885PRKAA2 54/4885
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK PRKAA1 881/4885KDR 395/4885PRKAA2 917/4885
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 PRKAA1 75/4885KDR 1372/4885PRKAA2 99/4885
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 PRKAA1 75/4885KDR 1372/4885PRKAA2 99/4885

“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.