SCHEMBL4757632

SCHEMBL4757632

CCOCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1NC(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 5/20 0.39
CYP3A4 P08684 2/20 0.38
GRM4 Q14833 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
NMT2 O60551 1/20 0.36
KIT P10721 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
DYRK1A Q13627 1/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5420192 0.87 NMT1 (0.44) NMT1NMT2MEN1HSP90AA1KMT2A
SCHEMBL4757634 0.87 CYP3A4 (0.38) NMT1CYP3A4GRM4ACSS2NMT2
SCHEMBL4755703 0.84 TLR7 (0.49)
SCHEMBL1486507 0.84 TLR7 (0.47) NMT1CYP3A4GRM4HRH3ACSS2
SCHEMBL4824309 0.84 TLR7 (0.40) MEN1KMT2A
SCHEMBL4753495 0.83 SMN1; SMN2 (0.43) NMT1CYP3A4GRM4ACSS2NMT2
SCHEMBL4757662 0.79 ACSS2 (0.38) NMT1CYP3A4GRM4ACSS2NMT2
SCHEMBL1486772 0.79 TLR7 (0.54) NMT1CYP3A4GRM4ACSS2NMT2
SCHEMBL1486639 0.79 TLR7 (0.46) CYP3A4GRM4ACSS2DYRK1AMEN1
SCHEMBL4757146 0.78 EGLN2 (0.39) NMT1ACSS2NMT2MEN1HSP90AA1

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 8 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
CN-1784231-A 1-amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2006-06-07 CN 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 NMT1 2529/4885CYP3A4 1657/4885GRM4 2083/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 NMT1 2529/4885CYP3A4 1657/4885GRM4 2083/4885

“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.