SCHEMBL2115790

SCHEMBL2115790

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.75
PRKAA1 Q13131 14/20 0.75
PRKAA2 P54646 12/20 0.75
PDGFRB P09619 5/20 0.75
FGFR1 P11362 4/20 0.75
FLT3 P36888 4/20 0.75
EGFR P00533 3/20 0.75
PLK4 O00444 2/20 0.75
DCLK1 O15075 2/20 0.75
PDPK1 O15530 2/20 0.75
DAPK3 O43293 2/20 0.75
ROCK2 O75116 2/20 0.75
RPS6KA5 O75582 2/20 0.75
RPS6KA4 O75676 2/20 0.75
MAP4K4 O95819 2/20 0.75
CHEK2 O96017 2/20 0.75
NTRK1 P04629 2/20 0.75
INSR P06213 2/20 0.75
LCK P06239 2/20 0.75
FYN P06241 2/20 0.75

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
SCHEMBL31672571 1.00 KDR (0.75) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL13755242 1.00 KDR (0.75) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL15202708 0.93 KDR (0.79) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL15202709 0.92 KDR (0.77) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL15202704 0.87 KDR (0.84) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL5396558 0.87 KDR (0.57) KDRPRKAA1PRKAA2PDGFRBFGFR1
Sunitinib SCHEMBL2726232 0.87 KDR (0.95) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL142711 0.87 KDR (0.71) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL18651190 0.87 KDR (0.85) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL144383 0.86 KDR (0.74) KDRPRKAA1PRKAA2PDGFRBFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2012-04-19 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 (1 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-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK KDR 395/4885PRKAA1 881/4885PRKAA2 917/4885

“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.