SCHEMBL5367276

SCHEMBL5367276

Cc1nc2c(N)nc3c(c2n1CCCCS(=O)(=O)c1ccc(F)cc1)CCCC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
SCARB1 Q8WTV0 1/20 0.36
KDM4E B2RXH2 1/20 0.32
ADORA2A P29274 1/20 0.32
BCHE P06276 5/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ACHE P22303 5/20 0.31
CACNB4 O00305 2/20 0.31
CACNA1A O00555 2/20 0.31
CACNA1G O43497 2/20 0.31
CACNG3 O60359 2/20 0.31
CACNA1F O60840 2/20 0.31
CACNA1H O95180 2/20 0.31
CACNB3 P54284 2/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNG7 P62955 2/20 0.31
CACNA1B Q00975 2/20 0.31

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
SCHEMBL5354429 0.84 CSNK2A1 (0.33) HTR2AKDM4EPOLBCYP2C19
SCHEMBL5366471 0.83 HTT (0.35) HTR2ASCARB1BCHEPOLBLMNA
SCHEMBL5356001 0.83 CSNK2A1 (0.32) KDM4EPOLB
SCHEMBL5356056 0.80 PDE8B (0.33)
SCHEMBL5368372 0.80 CSNK2A1 (0.33)
SCHEMBL5354795 0.79 PDE8B (0.32)
SCHEMBL3977357 0.77 CSNK2A1 (0.44) KDM4EPOLBACHECYP2C19
SCHEMBL14516597 0.76 TLR7 (0.46) KDM4EBCHEACHE
Hydrochloric Acid SCHEMBL3971178 0.75 TLR7 (0.45) KDM4EBCHEACHE
SCHEMBL6672310 0.74 PIM1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451191-A1 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2004-09-01 EP claimed
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
WO-2003050121-A1 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO 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 HTR2A 4695/4885SCARB1 3172/4885KDM4E 1675/4885
US-20040097736-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 HTR2A 4695/4885SCARB1 3172/4885KDM4E 1675/4885
US-20030100764-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 HTR2A 4695/4885SCARB1 3172/4885KDM4E 1675/4885

“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.