SCHEMBL4756322

SCHEMBL4756322

CC(C)(C)OC(=O)Nn1cnc2cnc3ccccc3c21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
JAK1 P23458 3/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 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
SCHEMBL5813403 0.80 SMN1; SMN2 (0.47) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL4756373 0.79 KMT2A (0.45) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL3866279 0.78 BCHE (0.43) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL5350633 0.77 PDPK1 (0.45) CYP3A4
SCHEMBL5354727 0.76 PDPK1 (0.44) CYP3A4
SCHEMBL29751740 0.75 CA12 (0.39) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL16879925 0.74 METAP1 (0.40) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL4330519 0.74 KMT2A (0.43) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL7220728 0.74 LMNA (0.39) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL4756423 0.74 TLR7 (0.43) NPC1RAB9AKMT2AMEN1GAA

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 NPC1 2668/4885RAB9A 2024/4885KMT2A 2385/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 NPC1 2668/4885RAB9A 2024/4885KMT2A 2385/4885

“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.