SCHEMBL2114007

SCHEMBL2114007

CCCCc1ccc(-c2ccc3c(c2)NC(=O)C3=Cc2[nH]c(C)c(C(=O)NCCN3CCCC3)c2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.65
PDGFRB P09619 4/20 0.65
FGFR1 P11362 3/20 0.65
TLK2 Q86UE8 2/20 0.65
FLT3 P36888 2/20 0.62
AURKB Q96GD4 2/20 0.62
MET P08581 1/20 0.62
PRKAA1 Q13131 11/20 0.57
CHEK1 O14757 5/20 0.56
AURKA O14965 1/20 0.56
LCK P06239 1/20 0.56
KIT P10721 1/20 0.56
KCNH2 Q12809 1/20 0.56
PRKAA2 P54646 10/20 0.53

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
SCHEMBL4559099 1.00 KDR (0.65) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL31672525 1.00 KDR (0.65) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL5518802 0.92 KDR (0.68) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL2114656 0.92 KDR (0.68) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL13755214 0.89 KDR (0.70) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL2114207 0.89 KDR (0.70) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL31672506 0.89 KDR (0.70) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL13755226 0.84 KDR (0.65) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL2114979 0.84 KDR (0.65) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL13755236 0.84 KDR (0.65) KDRPDGFRBFGFR1TLK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7572924-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2009-08-11 US disclosed
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2007-01-11 US disclosed
US-20050176802-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2005-08-11 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 (3 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-20050176802-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 KDR 1372/4885PDGFRB 974/4885FGFR1 1091/4885
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, PLK2, PNCK KDR 1387/4885PDGFRB 1034/4885FGFR1 1227/4885
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK KDR 395/4885PDGFRB 555/4885FGFR1 462/4885

“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.