SCHEMBL5656975

SCHEMBL5656975

O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(-c2ccsc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.51
ADRA2B P18089 4/20 0.51
ADRA2C P18825 4/20 0.51
MLLT1 Q03111 1/20 0.46
PTGIR P43119 4/20 0.45
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44
MAP4K4 O95819 1/20 0.44
PRKCG P05129 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
MAPK1 P28482 1/20 0.44
AKT1 P31749 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
PRKX P51817 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKG2 Q13237 1/20 0.44
ROCK1 Q13464 1/20 0.44
DYRK1A Q13627 1/20 0.44

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
SCHEMBL5659297 0.86 MMP13 (0.57) ADRA2AADRA2BADRA2CMLLT1PTGIR
SCHEMBL5655906 0.85 ADRA2A (0.55) ADRA2AADRA2BADRA2CMLLT1PTGIR
SCHEMBL5659202 0.85 ADRA2A (0.55) ADRA2AADRA2BADRA2CMLLT1PTGIR
SCHEMBL5657963 0.85 ADRA2A (0.55) ADRA2AADRA2BADRA2CMLLT1PTGIR
SCHEMBL5657240 0.83 ADRA2A (0.55) ADRA2AADRA2BADRA2CMLLT1PTGIR
SCHEMBL5657241 0.83 ADRA2A (0.60) ADRA2AADRA2BADRA2CMLLT1PTGIR
SCHEMBL5655170 0.83 PTGIR (0.67) ADRA2AADRA2BADRA2CPTGIRHDAC1
SCHEMBL5656503 0.82 ADRA2A (0.59) ADRA2AADRA2BADRA2CMLLT1PTGIR
SCHEMBL5657415 0.82 ADRA2A (0.59) ADRA2AADRA2BADRA2CMLLT1PTGIR
SCHEMBL5657222 0.82 ADRA2A (0.59) ADRA2AADRA2BADRA2CMLLT1PTGIR

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 ADRA2A 90/4885ADRA2B 82/4885ADRA2C 112/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR ADRA2A 99/4885ADRA2B 136/4885ADRA2C 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.