SCHEMBL2470167

SCHEMBL2470167

CN(C)c1ccc(CN2CCc3[nH]nc(-c4cc(Cl)c(O)cc4O)c3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.42
HSP90AB1 P08238 10/20 0.42
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.37
PDK1 Q15118 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL15225409 0.92 HSP90AA1 (0.41) HSP90AA1HSP90AB1PDK1
SCHEMBL15225665 0.91 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1PDK1
SCHEMBL2497713 0.90 HSP90AA1 (0.39) HSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL15225663 0.89 HSP90AA1 (0.42) HSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL15225455 0.88 HSP90AA1 (0.39) HSP90AA1HSP90AB1ALDH1A1KDM4EPDK1
SCHEMBL15225372 0.87 HSP90AA1 (0.50) HSP90AA1HSP90AB1
SCHEMBL15225410 0.85 HSP90AA1 (0.35) HSP90AA1HSP90AB1PDK1
SCHEMBL2469909 0.85 HSP90AA1 (0.44) HSP90AA1HSP90AB1KDM4E
SCHEMBL15225765 0.85 HRH3 (0.44) HSP90AA1HSP90AB1
SCHEMBL15225667 0.84 CREBBP (0.45) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370437-B1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-04 EP claimed
US-8309578-B2 Bicyclic pyrazole and isoxazole derivatives as antitumor and antineurodegenerative agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-13 US claimed
US-20110294790-A1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-12-01 US claimed
EP-2370437-A1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS Nerviano Medical Sciences S.r.l. (IT) 2011-10-05 EP claimed
WO-2010060854-A1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-06-03 WO claimed
EP-2370437-B1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-04 EP disclosed
US-8309578-B2 Bicyclic pyrazole and isoxazole derivatives as antitumor and antineurodegenerative agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-13 US disclosed
US-20110294790-A1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-12-01 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-20110294790-A1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885ALDH1A1 1348/4885

“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.