SCHEMBL5654971

SCHEMBL5654971

COc1ccc(C(=O)N(C)Cc2ccc(NC3=NCCN3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.70
ADRA2A P08913 5/20 0.64
ADRA2B P18089 4/20 0.64
ADRA2C P18825 4/20 0.64
WDR5 P61964 1/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GPR65 Q8IYL9 1/20 0.51
LIMK2 P53671 1/20 0.51
F12 P00748 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46

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
SCHEMBL5886015 0.88 PTGIR (0.69) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5656077 0.87 ADRA2A (0.56) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5658201 0.86 PTGIR (0.65) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5656473 0.82 PTGIR (0.71) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5806562 0.81 PTGIR (0.62) PTGIRADRA2AADRA2BADRA2C
SCHEMBL4686704 0.80 PTGIR (1.00) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL13017285 0.80 ADRA2A (1.00) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5655170 0.79 PTGIR (0.67) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL6158355 0.79 PTGIR (0.74) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5659732 0.79 PTGIR (0.70) PTGIRADRA2AADRA2BADRA2CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US claimed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP claimed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO claimed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 US claimed
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
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 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 (2 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 PTGIR 44/4885ADRA2A 90/4885ADRA2B 82/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR PTGIR 128/4885ADRA2A 99/4885ADRA2B 136/4885

“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.