SCHEMBL3103577

SCHEMBL3103577

COc1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.67
HSP90AB1 P08238 9/20 0.67
ROCK2 O75116 1/20 0.53
PRKD3 O94806 1/20 0.53
CSF1R P07333 1/20 0.53
PIM1 P11309 1/20 0.53
CDK2 P24941 1/20 0.53
RPS6KA3 P51812 1/20 0.53
ROCK1 Q13464 1/20 0.53
PRKD2 Q9BZL6 1/20 0.53
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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 0.89 HSP90AA1 (0.53) HSP90AA1HSP90AB1MAPTKDM4EALDH1A1
SCHEMBL3082929 0.89 HSP90AA1 (0.53) HSP90AA1HSP90AB1
SCHEMBL3093231 0.89 HSP90AA1 (0.69) HSP90AA1HSP90AB1ROCK2ROCK1MAPT
SCHEMBL3096102 0.87 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL13151404 0.87 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL3097536 0.86 HSP90AA1 (0.53) HSP90AA1HSP90AB1
SCHEMBL3096215 0.86 HSP90AA1 (0.56) HSP90AA1HSP90AB1PRKD3PRKD2
SCHEMBL3103679 0.84 HSP90AA1 (0.67) HSP90AA1HSP90AB1KDM4E
SCHEMBL13151384 0.84 HSP90AA1 (0.66) HSP90AA1HSP90AB1ROCK2PRKD3CSF1R
SCHEMBL5752613 0.84 HSP90AA1 (0.55) HSP90AA1HSP90AB1ROCK2PRKD3CSF1R

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 14 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
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
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 1/4885ROCK2 2624/4885

“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.