SCHEMBL5658291

SCHEMBL5658291

COc1cccc(C(=O)NCc2ccc(NC3=NCCN3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.57
WDR5 P61964 8/20 0.55
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
MMP13 P45452 2/20 0.54
CHRM3 P20309 1/20 0.52
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL5656473 0.88 PTGIR (0.71) PTGIRWDR5ADRA2AADRA2BADRA2C
SCHEMBL5655170 0.85 PTGIR (0.67) PTGIRWDR5ADRA2AADRA2BADRA2C
SCHEMBL5657340 0.84 ADRA2A (0.58) PTGIRWDR5ADRA2AADRA2BADRA2C
SCHEMBL5658067 0.82 WDR5 (0.60) PTGIRWDR5ADRA2AADRA2BADRA2C
SCHEMBL5660334 0.82 MAPK14 (0.60) PTGIRADRA2AADRA2BADRA2CMMP13
SCHEMBL5659767 0.80 PTGIR (0.57) PTGIRWDR5ADRA2AADRA2BADRA2C
SCHEMBL5657415 0.80 ADRA2A (0.59) PTGIRWDR5ADRA2AADRA2BADRA2C
SCHEMBL5658627 0.80 ADRA2A (0.59) PTGIRWDR5ADRA2AADRA2BADRA2C
SCHEMBL5658659 0.80 ADRA2A (0.63) PTGIRWDR5ADRA2AADRA2BADRA2C
SCHEMBL5656401 0.80 PTGIR (0.61) 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 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 PTGIR 44/4885WDR5 3297/4885ADRA2A 90/4885

“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.