SCHEMBL2115628

SCHEMBL2115628

CCN(CC)CCCNC(=O)c1[nH]c(C=C2C(=O)Nc3cc(OC)ccc32)cc1C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.55
FLT3 P36888 1/20 0.49
AURKB Q96GD4 1/20 0.49
PRKAA1 Q13131 6/20 0.49
PRKAA2 P54646 5/20 0.49
CHEK1 O14757 4/20 0.48
PDGFRB P09619 4/20 0.47
LRRK2 Q5S007 1/20 0.46
KIT P10721 1/20 0.46
TLK2 Q86UE8 1/20 0.46
FGFR1 P11362 2/20 0.45

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
SCHEMBL13755190 1.00 KDR (0.55) KDRFLT3AURKBPRKAA1PRKAA2
SCHEMBL31672503 0.93 KDR (0.63) KDRFLT3AURKBPRKAA1PRKAA2
SCHEMBL13755189 0.93 KDR (0.63) KDRFLT3AURKBPRKAA1PRKAA2
SCHEMBL2117432 0.93 KDR (0.63) KDRFLT3AURKBPRKAA1PRKAA2
SCHEMBL13755179 0.87 KDR (0.59) KDRFLT3AURKBPRKAA1PRKAA2
SCHEMBL2114173 0.87 KDR (0.59) KDRFLT3AURKBPRKAA1PRKAA2
SCHEMBL2114541 0.86 CHEK1 (0.53) KDRPRKAA1PRKAA2CHEK1PDGFRB
SCHEMBL13755218 0.86 CHEK1 (0.53) KDRPRKAA1PRKAA2CHEK1PDGFRB
SCHEMBL31672397 0.83 KDR (0.62) KDRFLT3AURKBPRKAA1PRKAA2
SCHEMBL2117421 0.83 KDR (0.62) KDRFLT3AURKBPRKAA1PRKAA2

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 395/4885FLT3 111/4885AURKB 210/4885

“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.