SCHEMBL712018

SCHEMBL712018

Nc1cc(CCCO)cnc1N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
ACVRL1 P37023 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADORA2A P29274 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
LTA4H P09960 1/20 0.32
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAD52 P43351 1/20 0.31

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
SCHEMBL11745099 0.81 SKP2 (0.46) CA2ALDH1A1
SCHEMBL11745802 0.76 NPC1 (0.44)
SCHEMBL22557523 0.74 ALDH1A1 (0.38) CA2TNKS2ALDH1A1RAD52
SCHEMBL30753592 0.74 ALDH1A1 (0.38) CA2TNKS2ALDH1A1RAD52
SCHEMBL5037010 0.73 MAOA (0.52) ALDH1A1
SCHEMBL10399428 0.71 NOS3 (0.42)
SCHEMBL6178745 0.71 GABRP (0.52) CA2LTA4HEPHX2ALDH1A1
SCHEMBL2564771 0.70 TNKS2 (0.38) CA2TNKS2LTA4HEPHX2
SCHEMBL12074549 0.67 FFAR4 (0.35) CA2TLR7TNKS2LTA4HEPHX2
SCHEMBL5036417 0.67 CPB2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940837-B1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-11-07 EP disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK CA2 616/4885TLR7 3630/4885ACVRL1 4193/4885

“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.