SCHEMBL5659732

SCHEMBL5659732

COc1ccc(NC(=O)Cc2ccc(NC3=NCCN3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.70
ADRA2A P08913 4/20 0.68
ADRA2B P18089 3/20 0.68
ADRA2C P18825 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GPR65 Q8IYL9 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
GAA P10253 1/20 0.52

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
Hydrochloric Acid SCHEMBL4689110 0.85 PTGIR (0.72) PTGIRADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL4686704 0.83 PTGIR (1.00) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL13017285 0.83 ADRA2A (1.00) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5656473 0.80 PTGIR (0.71) PTGIRADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL30034264 0.80 SMN1; SMN2 (0.88) SMN1; SMN2LMNAMAPTALDH1A1RAB9A
SCHEMBL5654971 0.79 PTGIR (0.70) PTGIRADRA2AADRA2BADRA2CMEN1
SCHEMBL5805033 0.79 PTGIR (1.00) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5803970 0.79 PTGIR (1.00) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5886015 0.78 PTGIR (0.69) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5658201 0.78 PTGIR (0.65) PTGIRADRA2AADRA2BADRA2CSMN1; SMN2

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 90/4885ADRA2B 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.