SCHEMBL5657340

SCHEMBL5657340

O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 7/20 0.58
ADRA2B P18089 7/20 0.58
ADRA2C P18825 7/20 0.58
WDR5 P61964 5/20 0.53
PTGIR P43119 3/20 0.52
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
MLLT1 Q03111 1/20 0.50
NAMPT P43490 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGAV P06756 1/20 0.48
ITGA2B P08514 1/20 0.48

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
SCHEMBL4692782 0.93 ADRA2A (0.62) ADRA2AADRA2BADRA2CWDR5PTGIR
SCHEMBL5659297 0.93 MMP13 (0.57) ADRA2AADRA2BADRA2CWDR5PTGIR
Oxalic Acid SCHEMBL4687545 0.91 ADRA2A (0.60) ADRA2AADRA2BADRA2CWDR5PTGIR
SCHEMBL5660334 0.90 MAPK14 (0.60) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5657241 0.89 ADRA2A (0.60) ADRA2AADRA2BADRA2CWDR5PTGIR
SCHEMBL5659779 0.88 ADRA2A (0.59) ADRA2AADRA2BADRA2CWDR5PTGIR
SCHEMBL5657222 0.88 ADRA2A (0.59) ADRA2AADRA2BADRA2CWDR5PTGIR
SCHEMBL5657415 0.88 ADRA2A (0.59) ADRA2AADRA2BADRA2CWDR5PTGIR
SCHEMBL5656503 0.88 ADRA2A (0.59) ADRA2AADRA2BADRA2CWDR5PTGIR
SCHEMBL5658659 0.88 ADRA2A (0.63) ADRA2AADRA2BADRA2CWDR5PTGIR

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 ADRA2A 90/4885ADRA2B 82/4885ADRA2C 112/4885

“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.