SCHEMBL3082929

SCHEMBL3082929

O=C(NCc1ccc(Cl)cc1)c1c[nH]nc1-c1cc(Cl)c(O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.53
HSP90AB1 P08238 7/20 0.53
POLA1 P09884 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
GSK3B P49841 1/20 0.45
TUBB P07437 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL3103510 0.91 HSP90AA1 (0.53) HSP90AA1HSP90AB1KMT2AHPGD
SCHEMBL3096102 0.91 HSP90AA1 (0.64) HSP90AA1HSP90AB1GSK3BMEN1KMT2A
SCHEMBL13151404 0.91 HSP90AA1 (0.64) HSP90AA1HSP90AB1CA1CA2TUBB
SCHEMBL3097536 0.90 HSP90AA1 (0.53) HSP90AA1HSP90AB1
SCHEMBL3103577 0.89 HSP90AA1 (0.67) HSP90AA1HSP90AB1
SCHEMBL3103679 0.88 HSP90AA1 (0.67) HSP90AA1HSP90AB1CA1CA2MEN1
SCHEMBL3096215 0.87 HSP90AA1 (0.56) HSP90AA1HSP90AB1CA1CA2TUBB
SCHEMBL13151388 0.82 HSP90AA1 (0.61) HSP90AA1HSP90AB1
SCHEMBL3093231 0.82 HSP90AA1 (0.69) HSP90AA1HSP90AB1MEN1KMT2AHPGD
SCHEMBL5751686 0.82 HSP90AA1 (0.42) HSP90AA1HSP90AB1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803831-B2 3-(2-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid amide derivatives as HSP90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-09-28 US claimed
US-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-05-17 US claimed
EP-1567151-B1 3-(2-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS CAMBRIDGE LTD (GB) 2006-03-15 EP claimed
CN-1744894-A 3-(2-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid amide derivatives as HSP90 inhibitor for the treatment of cancer VERNALIS CAMBRIDGE LTD (GB) 2006-03-08 CN claimed
EP-1567151-A1 3-(2-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER Vernalis (Cambridge) Limited (GB) 2005-08-31 EP claimed
WO-2004050087-A1 3-(2-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS (CAMBRIDGE) LIMITED (GB) 2004-06-17 WO claimed
US-7803831-B2 3-(2-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid amide derivatives as HSP90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-09-28 US disclosed
US-7803831-B2 3-(2-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid amide derivatives as HSP90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-09-28 US disclosed
US-7803831-B2 3-(2-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid amide derivatives as HSP90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-09-28 US disclosed
US-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-05-17 US disclosed
US-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-05-17 US disclosed
US-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-05-17 US disclosed
EP-1567151-B1 3-(2-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS CAMBRIDGE LTD (GB) 2006-03-15 EP disclosed
CN-1744894-A 3-(2-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid amide derivatives as HSP90 inhibitor for the treatment of cancer VERNALIS CAMBRIDGE LTD (GB) 2006-03-08 CN disclosed
EP-1567151-A1 3-(2-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER Vernalis (Cambridge) Limited (GB) 2005-08-31 EP disclosed
WO-2004050087-A1 3-(2-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER VERNALIS (CAMBRIDGE) LIMITED (GB) 2004-06-17 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-20070112192-A1 3-(2-Hydroxy-phenyl)-1h-pyrazole-4-carboxylic acid amide derivatives as hsp90 inhibitors for the treatment of cancer HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885POLA1 1431/4885

“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.