SCHEMBL5354429

SCHEMBL5354429

Cc1nc2c(N)nc3c(c2n1CCCCS(C)(=O)=O)CCCC3

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
KDM4E B2RXH2 4/20 0.32
TLR7 Q9NYK1 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL5356001 0.99 CSNK2A1 (0.32) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL5368372 0.89 CSNK2A1 (0.33) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL5356056 0.89 PDE8B (0.33) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL5354795 0.88 PDE8B (0.32) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL14516597 0.87 TLR7 (0.46) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL1891750 0.86 KDM4E (0.31) KDM4ENOS3NOS1NOS2ALDH1A1
Hydrochloric Acid SCHEMBL3971178 0.86 TLR7 (0.45) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL3977357 0.85 CSNK2A1 (0.44) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6672310 0.84 PIM1 (0.30) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL5367276 0.84 HTR2A (0.38) KDM4EPOLBCYP2C19HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097736-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-05-20 US claimed
US-6667312-B2 Useful as immune response modifiers 3M INNOVATIVE PROPERTIES COMPANY 2003-12-23 US claimed
US-20030100764-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 US claimed
US-7276515-B2 Thioether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-10-02 US disclosed
US-7276515-B2 Thioether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-10-02 US disclosed
US-7276515-B2 Thioether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-10-02 US disclosed
US-6949649-B2 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2005-09-27 US disclosed
US-20050209268-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-09-22 US disclosed
EP-1451191-A1 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2004-09-01 EP disclosed
US-20040097736-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-05-20 US disclosed
US-6667312-B2 Useful as immune response modifiers 3M INNOVATIVE PROPERTIES COMPANY 2003-12-23 US disclosed
WO-2003050121-A1 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
US-20030100764-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 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 (3 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-20050209268-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 CSNK2A1 837/4885PIM1 480/4885CSNK2A2 1183/4885
US-20040097736-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 CSNK2A1 837/4885PIM1 480/4885CSNK2A2 1183/4885
US-20030100764-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 CSNK2A1 837/4885PIM1 480/4885CSNK2A2 1183/4885

“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.