SCHEMBL9106867

SCHEMBL9106867

COc1ccc(OCC2CC2)c(-c2ccnc3c(C(=O)NC4CCC(NC(=O)[C@H](C)O)CC4)c(C)[nH]c23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA2 P47869 3/20 0.37
ACACB O00763 2/20 0.36
PDE4B Q07343 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
ROCK2 O75116 1/20 0.35
MELK Q14680 1/20 0.35
AURKA O14965 1/20 0.35
MET P08581 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
SMYD3 Q9H7B4 1/20 0.33
RIPK2 O43353 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CRHR1 P34998 2/20 0.33

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
SCHEMBL9106861 1.00 GABRG2 (0.37) GABRG2GABRB3GABRA2ACACBPDE4B
SCHEMBL9105966 0.94 ACACB (0.37) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9103580 0.94 ACACB (0.37) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9103593 0.94 ACACB (0.37) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9107509 0.92 KDM2B (0.38) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9108084 0.92 KDM2B (0.38) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9107506 0.92 KDM2B (0.38) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9106031 0.91 GABRG2 (0.40) GABRG2GABRB3GABRA2PDE4BPDE4A
SCHEMBL9106041 0.91 GABRG2 (0.40) GABRG2GABRB3GABRA2PDE4BPDE4A
SCHEMBL9107057 0.91 GABRG2 (0.40) GABRG2GABRB3GABRA2PDE4BPDE4A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US claimed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US claimed
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 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-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A GABRG2 3147/4885GABRB3 1909/4885GABRA2 2885/4885

“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.