SCHEMBL2114541

SCHEMBL2114541

CCN(CC)CCCNC(=O)c1[nH]c(C=C2C(=O)Nc3cc(-c4ccccc4)ccc32)cc1C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.53
KDR P35968 7/20 0.48
PRKAA1 Q13131 6/20 0.48
PRKAA2 P54646 5/20 0.48
PDGFRB P09619 4/20 0.48
FGFR1 P11362 3/20 0.48
EGFR P00533 2/20 0.46
GRK5 P34947 2/20 0.43

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
SCHEMBL13755218 1.00 CHEK1 (0.53) CHEK1KDRPRKAA1PRKAA2PDGFRB
SCHEMBL13755179 0.90 KDR (0.59) CHEK1KDRPRKAA1PRKAA2PDGFRB
SCHEMBL2114173 0.90 KDR (0.59) CHEK1KDRPRKAA1PRKAA2PDGFRB
SCHEMBL2115628 0.86 KDR (0.55) CHEK1KDRPRKAA1PRKAA2PDGFRB
SCHEMBL13755190 0.86 KDR (0.55) CHEK1KDRPRKAA1PRKAA2PDGFRB
SCHEMBL13755215 0.83 KDR (0.72) CHEK1KDRPRKAA1PRKAA2PDGFRB
SCHEMBL31672546 0.83 KDR (0.72) CHEK1KDRPRKAA1PRKAA2PDGFRB
SCHEMBL2113981 0.83 KDR (0.72) CHEK1KDRPRKAA1PRKAA2PDGFRB
SCHEMBL31672397 0.82 KDR (0.62) CHEK1KDRPRKAA1PRKAA2PDGFRB
SCHEMBL2117421 0.82 KDR (0.62) CHEK1KDRPRKAA1PRKAA2PDGFRB

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 CHEK1 716/4885KDR 395/4885PRKAA1 881/4885

“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.