SCHEMBL6730319

SCHEMBL6730319

O=C(O)N1CCc2nc(CC3CCCN3)ncc2C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.36
ENPP2 Q13822 3/20 0.36
FYN P06241 1/20 0.36
HSP90AA1 P07900 9/20 0.35
HSP90B1 P14625 3/20 0.35
HSP90AB1 P08238 2/20 0.34
KDM2B Q8NHM5 1/20 0.34
MAPT P10636 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL5777572 0.77 HSP90AA1 (0.41) PDGFRBENPP2FYNHSP90AA1HSP90B1
SCHEMBL30405316 0.76 HSP90AA1 (0.42) PDGFRBENPP2FYNHSP90AA1HSP90B1
SCHEMBL28907586 0.76 HSP90AA1 (0.42) PDGFRBENPP2FYNHSP90AA1HSP90B1
SCHEMBL5776735 0.76 HSP90AA1 (0.43) PDGFRBENPP2HSP90AA1HSP90B1HSP90AB1
SCHEMBL5774769 0.75 HSP90AA1 (0.43) PDGFRBENPP2HSP90AA1HSP90B1HSP90AB1
SCHEMBL5776309 0.73 HSP90AA1 (0.44) PDGFRBENPP2HSP90AA1HSP90B1HSP90AB1
SCHEMBL28518413 0.73 MAPT (0.43) PDGFRBHSP90AA1HSP90AB1MAPT
SCHEMBL28564871 0.73 MAPT (0.43) PDGFRBHSP90AA1HSP90AB1MAPT
SCHEMBL28745179 0.72 HTR2C (0.54) PDGFRBENPP2HSP90AB1KDR
SCHEMBL5777155 0.71 HSP90AA1 (0.39) PDGFRBENPP2FYNHSP90AA1HSP90B1

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-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 PDGFRB 2626/4885ENPP2 579/4885FYN 2237/4885

“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.