SCHEMBL5617243

SCHEMBL5617243

CCCc1nc2cnc3cccnc3c2n1CCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ENPP2 Q13822 1/20 0.43
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL5617107 0.96 LMNA (0.42) LMNAENPP2TP53SMN1; SMN2HPGD
SCHEMBL5617942 0.95 ENPP2 (0.44) LMNAENPP2TP53SMN1; SMN2HTT
SCHEMBL5617904 0.93 TP53 (0.41) LMNAENPP2TP53SMN1; SMN2HPGD
SCHEMBL5617263 0.88 TNF (0.45) LMNAENPP2TP53GAA
SCHEMBL5616964 0.88 TP53 (0.39) LMNAENPP2TP53SMN1; SMN2HPGD
SCHEMBL5617237 0.87 FAAH (0.42) LMNAENPP2TP53SMN1; SMN2HTT
SCHEMBL5618891 0.87 GAA (0.43) LMNAENPP2TP53SMN1; SMN2HTT
SCHEMBL3176214 0.87 TLR7 (0.49) LMNAENPP2TP53SMN1; SMN2HPGD
SCHEMBL5616912 0.87 ENPP2 (0.41) LMNAENPP2TP53SMN1; SMN2HPGD
SCHEMBL4324733 0.86 ENPP2 (0.37) LMNAENPP2TP53SMN1; SMN2HPGD

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-8697873-B2 Amide substituted imidazopyridines, imidazoquinolines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-15 US disclosed
US-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2007-09-20 US disclosed
EP-1730143-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2006-12-13 EP disclosed
WO-2005094531-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-10-13 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-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES IL2, IL4, IFNG LMNA 4342/4885ENPP2 1117/4885TP53 92/4885

“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.