SCHEMBL5364616

SCHEMBL5364616

CCCCc1nc2c[n+]([O-])c3ccccc3c2n1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.48
CNR2 P34972 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
DYRK1A Q13627 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL25962881 0.97 TLR7 (0.49) TLR7CNR2GAAHTTLMNA
SCHEMBL4333747 0.93 TLR7 (0.46) TLR7CNR2GAAHTTLMNA
SCHEMBL1952878 0.90 CNR2 (0.44) TLR7CNR2PIM1PIM3DYRK1A
SCHEMBL5365500 0.90 MAPT (0.46) TLR7CNR2HTTTP53DYRK1A
SCHEMBL25950619 0.89 TLR7 (0.44) TLR7CNR2GAAHTTSMN1; SMN2
SCHEMBL5346497 0.89 TLR7 (0.48) TLR7CNR2PIM1PIM3DYRK1A
SCHEMBL27238453 0.88 TLR7 (0.54) TLR7
SCHEMBL1951717 0.88 PIM1 (0.44) TLR7CNR2PIM1PIM3DYRK1A
SCHEMBL5348805 0.87 CNR2 (0.47) CNR2HTTLMNAPIM1PIM3
SCHEMBL5118893 0.87 TLR7 (0.41) TLR7CNR2PIM1PIM3

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 7 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
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-6784188-B2 ADMINISTERING TO A MAMMAL 1H-IMIDAZO(4,5-C)QUINOLINE RING CONTAINING COMPOUND FOR THE TREATMENT OF DISEASES, INCLUDING VIRAL AND NEOPLSATIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-08-31 US disclosed
US-20040167154-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-08-26 US disclosed
US-20040019048-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-29 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

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-20040167154-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885CNR2 2428/4885GAA 1531/4885
US-20040019048-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885CNR2 2428/4885GAA 1531/4885
US-20050131009-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885CNR2 2428/4885GAA 1531/4885

“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.