SCHEMBL6096772

SCHEMBL6096772

Nc1nc2ccccc2c2c1ncn2CCC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.56
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
HRH2 P25021 1/20 0.55
ADRA1D P25100 1/20 0.55
HTR2A P28223 1/20 0.55
ADORA2A P29274 1/20 0.55
ADRA1A P35348 1/20 0.55
NUDT1 P36639 1/20 0.55
HTR2B P41595 1/20 0.55
PDE4D Q08499 1/20 0.55
KCNH2 Q12809 1/20 0.55
HTR4 Q13639 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ACHE P22303 1/20 0.41
TLR8 Q9NR97 4/20 0.40
NPY1R P25929 1/20 0.39
MERTK Q12866 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
Hydrochloric Acid SCHEMBL6929408 0.99 TLR7 (0.55) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL12631901 0.88 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6925999 0.87 ACHE (0.43) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6838687 0.85 HTR4 (0.41) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6929452 0.83 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
Trifluoroacetic Acid SCHEMBL6928326 0.80 NR3C1 (0.45) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL1140794 0.79 LMNA (0.49) LMNAHTR4TSHRHTTNPSR1
SCHEMBL3197872 0.79 TLR7 (0.59) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6926177 0.79 TLR7 (0.53) TLR7LMNAPOLBHRH2ADRA1D
Water SCHEMBL9602607 0.78 TLR7 (0.58) TLR7LMNAPOLBHRH2ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518265-B1 1H-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2003-02-11 US claimed
US-7112677-B2 1H-imidazo dimers 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-09-26 US disclosed
EP-1542688-A2 1H-IMIDAZO DIMERS 3M Innovative Properties Company (US) 2005-06-22 EP disclosed
US-20050026947-A1 1H-imidazo dimers 3M INNOVATIVE PROPERTIES COMPANY 2005-02-03 US disclosed
US-6818650-B2 1H-IMIDAZO(4,5-C)- QUINOLINE OR -PYRIDINE DERIVATIVES; INDUCE BIOSYNTHESIS OF CYTOKINES; VIRAL DISEASES; ANTICARCINOGENIC AND ANTITUMOR AGENTS; IMMUNOMODULATORS 3M INNOVATIVE PROPERTIES COMPANY 2004-11-16 US disclosed
US-20040132766-A1 1H-imidazo dimers 3M INNOVATIVE PROPERTIES COMPANY 2004-07-08 US disclosed
WO-2004028539-A2 1H-IMIDAZO DIMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-04-08 WO disclosed
US-6518265-B1 1H-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2003-02-11 US disclosed
EP-1104764-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2001-06-06 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 (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-20050026947-A1 1H-imidazo dimers IL2, EIF2AK2, IRF3 TLR7 173/4885LMNA 4369/4885POLB 2556/4885
US-20040132766-A1 1H-imidazo dimers IL2, EIF2AK2, IRF3 TLR7 173/4885LMNA 4369/4885POLB 2556/4885

“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.