SCHEMBL5656945

SCHEMBL5656945

O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.59
ADRA2A P08913 3/20 0.56
ADRA2B P18089 3/20 0.56
ADRA2C P18825 3/20 0.56
LSS P48449 1/20 0.54
NAMPT P43490 2/20 0.50
MLLT1 Q03111 1/20 0.49
MAPK14 Q16539 1/20 0.49
KDM1A O60341 2/20 0.47
HDAC1 Q13547 2/20 0.47
MAOA P21397 1/20 0.47
WDR5 P61964 3/20 0.47
EPHX2 P34913 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL5659119 0.89 PTGIR (0.59) PTGIRADRA2AADRA2BADRA2CNAMPT
SCHEMBL5656503 0.89 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CNAMPT
SCHEMBL5658542 0.88 PTGIR (0.51) PTGIRADRA2AADRA2BADRA2CMLLT1
SCHEMBL5657241 0.87 ADRA2A (0.60) PTGIRADRA2AADRA2BADRA2CMLLT1
SCHEMBL5659779 0.86 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CMLLT1
SCHEMBL5657222 0.86 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CNAMPT
SCHEMBL5658627 0.86 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CMLLT1
SCHEMBL5657415 0.86 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CNAMPT
SCHEMBL5658659 0.86 ADRA2A (0.63) PTGIRADRA2AADRA2BADRA2CMLLT1
SCHEMBL5657340 0.86 ADRA2A (0.58) PTGIRADRA2AADRA2BADRA2CNAMPT

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.