SCHEMBL5776309

SCHEMBL5776309

CN(C)Cc1ncc2c(n1)CCN(C(=O)O)C2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.44
HSP90B1 P14625 8/20 0.44
HSP90AB1 P08238 2/20 0.42
ENPP2 Q13822 1/20 0.40
MAPT P10636 1/20 0.39
PDGFRB P09619 3/20 0.38

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
SCHEMBL5776909 0.85 HSP90AA1 (0.44) HSP90AA1HSP90B1HSP90AB1MAPTPDGFRB
SCHEMBL5777572 0.84 HSP90AA1 (0.41) HSP90AA1HSP90B1HSP90AB1ENPP2MAPT
SCHEMBL5774191 0.83 HSP90AA1 (0.45) HSP90AA1HSP90B1PDGFRB
SCHEMBL30405316 0.83 HSP90AA1 (0.42) HSP90AA1HSP90B1HSP90AB1ENPP2MAPT
SCHEMBL28907586 0.83 HSP90AA1 (0.42) HSP90AA1HSP90B1HSP90AB1ENPP2MAPT
SCHEMBL785547 0.80 HSP90AA1 (0.59) HSP90AA1HSP90B1HSP90AB1ENPP2MAPT
SCHEMBL5775559 0.80 HSP90AA1 (0.49) HSP90AA1HSP90B1HSP90AB1MAPTPDGFRB
SCHEMBL5776735 0.80 HSP90AA1 (0.43) HSP90AA1HSP90B1HSP90AB1ENPP2MAPT
SCHEMBL5774769 0.79 HSP90AA1 (0.43) HSP90AA1HSP90B1HSP90AB1ENPP2MAPT
SCHEMBL28745179 0.79 HTR2C (0.54) HSP90AB1ENPP2PDGFRB

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 1452/4885HSP90B1 2333/4885HSP90AB1 1561/4885

“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.