SCHEMBL5617331

SCHEMBL5617331

CCCc1nc2cnc3ccccc3c2n1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.49
AKR1B10 O60218 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
HDAC6 Q9UBN7 4/20 0.47
TLR7 Q9NYK1 2/20 0.45
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PPARG P37231 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5669214 0.86 HDAC6 (0.47) RXFP1HDAC6TLR7AGTR1AGTR2
SCHEMBL4151691 0.85 HDAC6 (0.46) RXFP1HDAC6TLR7KDM4EALDH1A1
SCHEMBL4148792 0.84 TLR7 (0.46) HDAC6TLR7KDM4EALDH1A1LMNA
SCHEMBL4155601 0.84 TLR7 (0.46) HDAC6TLR7KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL5617067 0.83 TLR7 (0.44) AKR1B10RXFP1HDAC6TLR7AGTR1
SCHEMBL10123169 0.82 TLR7 (0.50) RXFP1TLR7TSHRHPGDKDM4E
SCHEMBL5617123 0.82 KDM4E (0.43) RXFP1HDAC6TLR7AGTR1AGTR2
SCHEMBL1950119 0.82 GAA (0.47) HDAC6TLR7LMNAMAPTSMN1; SMN2
SCHEMBL5618306 0.81 TLR7 (0.45) RXFP1TLR7HPGDKDM4ELMNA
SCHEMBL5617119 0.81 TLR7 (0.45) RXFP1TLR7HPGDLMNASMN1; 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 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 APEX1 3044/4885AKR1B10 3586/4885RXFP1 3068/4885

“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.