SCHEMBL5656724

SCHEMBL5656724

CC(C)COc1ccc(C(=O)NCc2ccc(NC3=NCCN3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.53
ADRA2A P08913 5/20 0.53
GPR65 Q8IYL9 1/20 0.53
ADRA2B P18089 4/20 0.50
ADRA2C P18825 4/20 0.50
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.46
WDR5 P61964 3/20 0.45
MLLT1 Q03111 1/20 0.45

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
SCHEMBL5657406 0.90 PTGIR (0.51) PTGIRADRA2AGPR65ADRA2BADRA2C
SCHEMBL5656401 0.89 PTGIR (0.61) PTGIRADRA2AGPR65ADRA2BADRA2C
SCHEMBL5657359 0.89 PTGIR (0.49) PTGIRADRA2AGPR65ADRA2BADRA2C
SCHEMBL5656406 0.88 ADRA2A (0.69) PTGIRADRA2AGPR65ADRA2BADRA2C
SCHEMBL5659767 0.87 PTGIR (0.57) PTGIRADRA2AGPR65ADRA2BADRA2C
SCHEMBL5657780 0.87 LMNA (0.61) PTGIRADRA2AGPR65ADRA2BADRA2C
SCHEMBL5657784 0.87 LMNA (0.55) PTGIRADRA2AGPR65ADRA2BADRA2C
SCHEMBL5657662 0.87 ADRA2A (0.55) PTGIRADRA2AGPR65ADRA2BADRA2C
SCHEMBL5656473 0.87 PTGIR (0.71) PTGIRADRA2AGPR65ADRA2BADRA2C
SCHEMBL5656110 0.86 PTGIR (0.53) PTGIRADRA2AGPR65ADRA2BADRA2C

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 44/4885ADRA2A 90/4885GPR65 152/4885

“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.