SCHEMBL5659026

SCHEMBL5659026

COc1ccccc1C(=O)NCc1ccc(NC2=NCCN2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
HPGD P15428 4/20 0.58
TP53 P04637 1/20 0.58
GLA P06280 1/20 0.58
PTGIR P43119 5/20 0.53
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
WDR5 P61964 2/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
NOD2 Q9HC29 1/20 0.49
CHRM3 P20309 1/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL5657340 0.81 ADRA2A (0.58) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5656473 0.81 PTGIR (0.71) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5658067 0.80 WDR5 (0.60) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5658291 0.80 PTGIR (0.57) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5657415 0.79 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5655170 0.78 PTGIR (0.67) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5656529 0.78 WDR5 (0.52) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5659297 0.78 MMP13 (0.57) POLBPTGIRADRA2AADRA2BADRA2C
SCHEMBL4692782 0.78 ADRA2A (0.62) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5660334 0.77 MAPK14 (0.60) HPGDPTGIRADRA2AADRA2BADRA2C

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 POLB 3689/4885HPGD 1739/4885TP53 2327/4885

“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.