SCHEMBL4754553

SCHEMBL4754553

CCOCc1nc2cnc3ccccc3c2n1NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
TLR7 Q9NYK1 5/20 0.43
TLR8 Q9NR97 5/20 0.43
NUDT1 P36639 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TOP2A P11388 1/20 0.38
UBE2N P61088 1/20 0.38

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
SCHEMBL4756423 0.86 TLR7 (0.43) HSD17B10TLR7TLR8NUDT1ALDH1A1
SCHEMBL4756426 0.86 TLR7 (0.41) HSD17B10TLR7TLR8NUDT1ALDH1A1
SCHEMBL4754410 0.85 TLR7 (0.43) HSD17B10TLR7TLR8NUDT1KDM4E
SCHEMBL5420192 0.85 NMT1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4756090 0.85 NPSR1 (0.47) HSD17B10ALDH1A1KDM4EPOLBMEN1
SCHEMBL4817670 0.83 TLR7 (0.41) HSD17B10TLR7TLR8NUDT1POLB
SCHEMBL5405185 0.83 XBP1 (0.48) TLR7ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL4824309 0.83 TLR7 (0.40) HSD17B10TLR7TLR8NUDT1POLB
SCHEMBL4824313 0.83 TLR7 (0.40) HSD17B10TLR7TLR8NUDT1MEN1
SCHEMBL4757591 0.82 TLR7 (0.40) HSD17B10TLR7TLR8NUDT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605943-A4 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2008-01-16 EP disclosed
US-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US disclosed
WO-2006028451-A1 1-AMINO 1-H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed
EP-1605943-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-12-21 EP disclosed
US-20050054640-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 US disclosed
WO-2004080398-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-09-23 WO disclosed
US-20040176367-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 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 (2 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-20040176367-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 HSD17B10 4061/4885TLR7 146/4885TLR8 507/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 HSD17B10 4061/4885TLR7 146/4885TLR8 507/4885

“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.