SCHEMBL4483335

SCHEMBL4483335

OCc1[nH]nc(-c2cc(Cl)c(O)cc2O)c1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 18/20 1.00
▸ HSP90AB1 P08238 14/20 1.00
▸ ADRB2 P07550 1/20 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
SCHEMBL4483461 0.83 HSP90AA1 (1.00) HSP90AA1HSP90AB1ADRB2
SCHEMBL4479765 0.76 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL4474252 0.73 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL15225388 0.68 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL21067557 0.68 HSP90AB1 (0.69) HSP90AA1HSP90AB1
SCHEMBL21067316 0.68 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL4494977 0.64 HSP90AA1 (0.47) HSP90AA1HSP90AB1
SCHEMBL2474118 0.63 SOS1 (0.57) HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL2473408 0.63 HSP90AA1 (0.47) HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL2470022 0.63 SOS1 (0.56) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612201-B2 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2009-11-03 — — US disclosed
US-7612201-B2 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2009-11-03 — — US disclosed
US-7612201-B2 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2009-11-03 — — US disclosed
US-20060148817-A1 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2006-07-06 — — US disclosed
EP-1572664-A1 PYRAZOLE COMPOUNDS Vernalis (Cambridge) Limited (GB) 2005-09-14 — — EP disclosed
WO-2004056782-A1 PYRAZOLE COMPOUNDS VERNALIS (CAMBRIDGE) LIMITED (GB) 2004-07-08 — — WO 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-20060148817-A1 Pyrazole compounds NRAS, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885ADRB2 206/4885

“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.

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