SCHEMBL5777155

SCHEMBL5777155

COC1CCN(Cc2ncc3c(n2)CCN(C(=O)O)C3)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.39
NAMPT P43490 1/20 0.39
HSP90B1 P14625 6/20 0.38
PDGFRB P09619 2/20 0.38
ENPP2 Q13822 1/20 0.37
FYN P06241 1/20 0.37
MAPT P10636 2/20 0.37
KDR P35968 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL5776735 0.84 HSP90AA1 (0.43) HSP90AA1HSP90B1PDGFRBENPP2MAPT
SCHEMBL5774769 0.83 HSP90AA1 (0.43) HSP90AA1HSP90B1PDGFRBENPP2MAPT
SCHEMBL5777572 0.76 HSP90AA1 (0.41) HSP90AA1HSP90B1PDGFRBENPP2FYN
SCHEMBL28907586 0.75 HSP90AA1 (0.42) HSP90AA1HSP90B1PDGFRBENPP2FYN
SCHEMBL30405316 0.75 HSP90AA1 (0.42) HSP90AA1HSP90B1PDGFRBENPP2FYN
SCHEMBL5776309 0.75 HSP90AA1 (0.44) HSP90AA1HSP90B1PDGFRBENPP2MAPT
SCHEMBL6282952 0.73 HSP90AA1 (0.40) HSP90AA1HSP90B1PDGFRBENPP2FYN
SCHEMBL5775725 0.73 HSP90AA1 (0.44) HSP90AA1HSP90B1PDGFRBENPP2FYN
SCHEMBL5776909 0.73 HSP90AA1 (0.44) HSP90AA1HSP90B1PDGFRBFYNMAPT
SCHEMBL21326642 0.73 HSP90AA1 (0.59) HSP90AA1HSP90B1PDGFRBFYNMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
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 HSP90AA1 1452/4885NAMPT 4072/4885HSP90B1 2333/4885

“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.