SCHEMBL5658806

SCHEMBL5658806

O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 12/20 0.55
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
PTGIR P43119 1/20 0.48
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL5657222 0.84 ADRA2A (0.59) WDR5ADRA2AADRA2BADRA2CPTGIR
SCHEMBL6160175 0.83 ADRA2A (0.50) WDR5ADRA2AADRA2BADRA2CPTGIR
Hydrochloric Acid SCHEMBL6159131 0.82 ADRA2A (0.49) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5659202 0.82 ADRA2A (0.55) WDR5ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5656529 0.81 WDR5 (0.52) WDR5ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5657902 0.78 KDM4E (0.56) ADRA2AADRA2BADRA2CPTGIRHPGD
SCHEMBL5657340 0.78 ADRA2A (0.58) WDR5ADRA2AADRA2BADRA2CPTGIR
SCHEMBL6839485 0.77 HPGD (0.65) HPGDGAALMNAHTT
SCHEMBL5658067 0.77 WDR5 (0.60) WDR5ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5657241 0.77 ADRA2A (0.60) WDR5ADRA2AADRA2BADRA2CPTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR WDR5 3297/4885ADRA2A 90/4885ADRA2B 82/4885

“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.