SCHEMBL1448939

SCHEMBL1448939

Nc1nccc(-c2cccc(P(c3ccccc3)c3ccccc3)c2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.65
AURKA O14965 2/20 0.65
ADORA2A P29274 2/20 0.65
PRKACA P17612 1/20 0.65
HSP90AB1 P08238 1/20 0.50
PTK2 Q05397 1/20 0.50
KMO O15229 1/20 0.49
MAPK13 O15264 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
HRH4 Q9H3N8 1/20 0.44
CDK2 P24941 2/20 0.43
ROCK1 Q13464 2/20 0.43
CHUK O15111 1/20 0.43
PDPK1 O15530 1/20 0.43
RPS6KB1 P23443 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL1449233 0.85 AURKA (0.44) HSP90AA1AURKAADORA2APRKACAKMO
SCHEMBL1449276 0.84 KMT2A (0.51) HSP90AA1AURKAADORA2APRKACAKMO
SCHEMBL4202167 0.82 HSP90AA1 (0.76) HSP90AA1AURKAADORA2APRKACAHSP90AB1
SCHEMBL1448978 0.82 KMO (0.43) HSP90AA1AURKAADORA2APRKACAKMO
SCHEMBL316210 0.80 HSP90AA1 (1.00) HSP90AA1AURKAADORA2APRKACAHSP90AB1
Hydrochloric Acid SCHEMBL17186384 0.78 HSP90AA1 (0.96) HSP90AA1AURKAADORA2APRKACAHSP90AB1
SCHEMBL4708076 0.77 HSP90AA1 (0.67) HSP90AA1AURKAADORA2APRKACAHSP90AB1
SCHEMBL12176972 0.77 HSP90AA1 (0.92) HSP90AA1AURKAADORA2APRKACAHSP90AB1
SCHEMBL6764764 0.74 HSP90AA1 (0.62) HSP90AA1AURKAADORA2APRKACAHSP90AB1
SCHEMBL5229810 0.74 HSP90AA1 (0.62) HSP90AA1AURKAADORA2APRKACAHSP90AB1

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-7910744-B2 Pyrazole and Pyrimidine groups are introduced on aromatic phosphine; (3-bromophenyl)methyl ketone and ethylene glycol cyclize to [3-(2-methyl-1,3-dioxolane-2-yl)phenyl]diphenylphosphane; adding hydrazine monohydrate, then oxidizing with hydrogen peroxide; [3-(3-Pyrazolyl)phenyl]diphenylphosphane oxide ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENT II KG (DE) 2011-03-22 US disclosed
US-7910744-B2 Pyrazole and Pyrimidine groups are introduced on aromatic phosphine; (3-bromophenyl)methyl ketone and ethylene glycol cyclize to [3-(2-methyl-1,3-dioxolane-2-yl)phenyl]diphenylphosphane; adding hydrazine monohydrate, then oxidizing with hydrogen peroxide; [3-(3-Pyrazolyl)phenyl]diphenylphosphane oxide ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENT II KG (DE) 2011-03-22 US disclosed
US-7910744-B2 Pyrazole and Pyrimidine groups are introduced on aromatic phosphine; (3-bromophenyl)methyl ketone and ethylene glycol cyclize to [3-(2-methyl-1,3-dioxolane-2-yl)phenyl]diphenylphosphane; adding hydrazine monohydrate, then oxidizing with hydrogen peroxide; [3-(3-Pyrazolyl)phenyl]diphenylphosphane oxide ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENT II KG (DE) 2011-03-22 US disclosed
US-20080221335-A1 Method for the Manufacture of Substituted Phosphanes, and Substituted Phosphanes Manufactured According to Said Method ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2008-09-11 US disclosed
US-20080221335-A1 Method for the Manufacture of Substituted Phosphanes, and Substituted Phosphanes Manufactured According to Said Method ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2008-09-11 US disclosed
US-20080221335-A1 Method for the Manufacture of Substituted Phosphanes, and Substituted Phosphanes Manufactured According to Said Method ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2008-09-11 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-20080221335-A1 Method for the Manufacture of Substituted Phosphanes, and Substituted Phosphanes Manufactured According to Said Method SCLY, SELENOI, TST HSP90AA1 4185/4885AURKA 1224/4885ADORA2A 1350/4885

“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.