SCHEMBL4908884

SCHEMBL4908884

CC(C)Cn1cnc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.41
POLB P06746 2/20 0.33
ADORA2A P29274 4/20 0.33
ADORA2B P29275 2/20 0.33
ADORA1 P30542 2/20 0.33
LMNA P02545 1/20 0.33
HRH2 P25021 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
NUDT1 P36639 1/20 0.33
HTR2B P41595 1/20 0.33
PDE4D Q08499 1/20 0.33
KCNH2 Q12809 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CPB1 P15086 3/20 0.32
CPA1 P15085 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32

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
Hydrochloric Acid SCHEMBL23389223 0.79 CPB2 (0.46) CPB2ADORA2AADORA2BTLR7CPB1
SCHEMBL12448089 0.77 CPB2 (0.39) CPB2POLBADORA2AADORA2BLMNA
SCHEMBL12224159 0.75 CPB2 (0.38) CPB2POLB
SCHEMBL4909041 0.75 CPB2 (0.38) CPB2POLBCPB1
SCHEMBL27654362 0.75 CPB2 (0.38) CPB2POLBADORA2AADORA2BADORA1
SCHEMBL19867832 0.73 CPB2 (0.54) CPB2POLBCPB1
SCHEMBL3712700 0.73 CYP2C9 (0.55) CPB2POLBCPB1
SCHEMBL24925524 0.72
SCHEMBL12098968 0.72 ADA (0.39) LMNAPDE4DALDH1A1
SCHEMBL18250233 0.72 CPB2 (0.37) CPB2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023135950-A1 PROTEOGLYCAN-CONTAINING IMMUNE RESPONSE MODIFIER 一丸ファルコス株式会社 2023-07-20 WO disclosed
WO-2023135949-A1 PROTEOGLYCAN-CONTAINING IMMUNE RESPONSE MODIFIER 一丸ファルコス株式会社 2023-07-20 WO disclosed
US-20210121562-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND/OR PREVENTION OF CANCER TORAY INDUSTRIES, INC. (JP) 2021-04-29 US disclosed
CN-101850117-B Compound immunologic adjuvant and vaccine NAT CT FOR VETERINARY BIOLOG ENGINEERING RES 2012-05-30 CN disclosed
CN-101850117-A Compound immunological adjuvant and vaccine NAT CT FOR VETERINARY BIOLOG ENGINEERING RES 2010-10-06 CN disclosed
US-20080194822-A1 Heating 4-chloro-1-isobutyl-1H-imidazo[4,5-c]quinoline with ammonia in a polar aprotic solvent to produce imiquimod; purification; industrial scale; dechlorination; precipitation, crystallization, slurrying, washing in a suitable solvent, filtration through a packed-bed column, dissolution in solvent CHEMAGIS LTD. (IL) 2008-08-14 US disclosed
EP-1831219-A2 A PROCESS FOR THE PREPARATION OF SUBSTANTIALLY PURE 4-AMINO-1-ISOBUTYL-1H-IMIDAZOÝ4,5-C¨-QUINOLINE (IMIQUIMOD) USV LIMITED (IN) 2007-09-12 EP disclosed
WO-2006070408-A2 A PROCESS FOR THE PREPARATION OF SUBSTANTIALLY PURE 4-AMINO-1-ISOBUTYL-1H-IMIDAZO[4,5-C]-QUINOLINE (IMIQUIMOD) USV LIMITED (IN) 2006-07-06 WO disclosed
EP-0882727-B9 NOVEL PURINE DERIVATIVES SUMITOMO PHARMA (JP) 2005-06-15 EP disclosed
EP-0882727-B1 NOVEL PURINE DERIVATIVES SUMITOMO PHARMA (JP) 2004-12-01 EP disclosed
EP-0882727-A1 NOVEL PURINE DERIVATIVES JAPAN ENERGY CORPORATION (JP) 1998-12-09 EP disclosed
EP-0582581-A1 1-SUBSTITUTED, 2-SUBSTITUTED 1H-IMIDAZO 4,5-c]QUINOLIN-4-AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-02-16 EP 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-20080194822-A1 Heating 4-chloro-1-isobutyl-1H-imidazo[4,5-c]quinoline with ammonia in a polar aprotic solvent to produce imiquimod; purification; industrial scale; dechlorination; precipitation, crystallization, slurrying, washing in a suitable solvent, filtration through a packed-bed column, dissolution in solvent IMPDH1, IDO1, IPO4 CPB2 3906/4885POLB 628/4885ADORA2A 379/4885

“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.