SCHEMBL5750436

SCHEMBL5750436

Nc1nc2ccccc2c2c1ncn2CCCCNC(=O)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.51
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
HRH2 P25021 1/20 0.50
ADRA1D P25100 1/20 0.50
HTR2A P28223 1/20 0.50
ADORA2A P29274 1/20 0.50
ADRA1A P35348 1/20 0.50
NUDT1 P36639 1/20 0.50
HTR2B P41595 1/20 0.50
PDE4D Q08499 1/20 0.50
KCNH2 Q12809 1/20 0.50
EPHX2 P34913 1/20 0.44
THRB P10828 1/20 0.43
DOT1L Q8TEK3 1/20 0.42
FES P07332 1/20 0.41
RET P07949 1/20 0.41
MARK3 P27448 1/20 0.41
TYK2 P29597 1/20 0.41
FLT4 P35916 1/20 0.41

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
SCHEMBL14592763 0.93 TLR7 (0.53) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL14592754 0.90 TLR7 (0.53) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL14592753 0.90 TLR7 (0.53) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL5751734 0.90 TLR7 (0.53) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL14592813 0.89 TLR7 (0.53) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL14592702 0.89 TLR7 (0.53) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL5746744 0.88 TLR7 (0.51) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL14592796 0.88 TLR7 (0.51) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL14592749 0.87 TLR7 (0.58) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL13937462 0.87 TLR7 (0.56) TLR7POLBLMNAHRH2ADRA1D

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-1198232-B1 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-23 EP claimed
US-20040014754-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-22 US claimed
US-6541485-B1 Useful as immune response modifiers; they induce the biosynthesis of various cytokines and are used to treat viral diseases and neoplastic diseases. 3M INNOVATIVE PROPERTIES COMPANY 2003-04-01 US claimed
EP-1198232-A4 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP claimed
EP-1198232-A1 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-04-24 EP claimed
WO-2000076518-A1 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO claimed
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 US disclosed
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 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 (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-20040014754-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885POLB 3690/4885LMNA 4675/4885

“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.