SCHEMBL5349805

SCHEMBL5349805

Nc1nc2ccccc2c2c1ncn2CCNC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 16/20 0.59
▸ POLB P06746 2/20 0.58
▸ ADORA2A P29274 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ HRH2 P25021 1/20 0.58
▸ ADRA1D P25100 1/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ NUDT1 P36639 1/20 0.58
▸ HTR2B P41595 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ THRB P10828 1/20 0.39
▸ TLR8 Q9NR97 6/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA1 P30542 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
SCHEMBL2059240 0.90 TLR7 (0.56) TLR7POLBADORA2ALMNAHRH2
SCHEMBL18588114 0.87 TLR7 (0.58) TLR7POLBADORA2ALMNAHRH2
SCHEMBL3864770 0.86 TLR7 (0.52) TLR7POLBADORA2ALMNAHRH2
SCHEMBL3862340 0.85 TLR7 (0.59) TLR7POLBADORA2ALMNAHRH2
SCHEMBL13937462 0.83 TLR7 (0.56) TLR7POLBADORA2ALMNAHRH2
SCHEMBL5749342 0.83 TLR7 (0.54) TLR7POLBADORA2ALMNAHRH2
SCHEMBL5748744 0.83 TLR7 (0.48) TLR7POLBADORA2ALMNAHRH2
SCHEMBL5617026 0.82 TLR7 (0.55) TLR7POLBADORA2ALMNAHRH2
SCHEMBL3862412 0.82 TLR7 (0.53) TLR7POLBADORA2ALMNAHRH2
Hydrochloric Acid SCHEMBL3863570 0.82 TLR7 (0.53) TLR7POLBADORA2ALMNAHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 — — US disclosed
EP-1198232-B1 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-23 — — EP disclosed
US-20050131009-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-06-16 — — US disclosed
US-6897221-B2 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-24 — — US disclosed
US-20040167154-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-08-26 — — US disclosed
US-6780873-B2 FOR INDUCING CYTOKINE BIOSYNTHESIS IN ANIMALS, AND IN THE TREATMENT OF DISEASES, INCLUDING VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-08-24 — — US disclosed
EP-1438958-A1 Carbamate substituted imidazoquinolines 3M Innovative Properties Company (US) 2004-07-21 — — EP disclosed
US-20040019048-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-29 — — US disclosed
US-20040014754-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-22 — — US disclosed
US-6573273-B1 Imidazoquinoline and tetrahydroimidazoquinoline compounds that contain urea, thiourea, acylurea, or sulfonylurea functionality at the 1-position are useful as immune response modifiers. The compounds and compositions of the invention can 3M INNOVATIVE PROPERTIES COMPANY 2003-06-03 — — US disclosed
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 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 (4 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-20040167154-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885POLB 3690/4885ADORA2A 2629/4885
US-20040019048-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885POLB 3690/4885ADORA2A 2629/4885
US-20040014754-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885POLB 3690/4885ADORA2A 2629/4885
US-20050131009-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885POLB 3690/4885ADORA2A 2629/4885

“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.

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