SCHEMBL5350820

SCHEMBL5350820

COc1ccccc1Cc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
TLR7 Q9NYK1 17/20 0.48
KDM4E B2RXH2 1/20 0.47
S1PR2 O95136 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TLR8 Q9NR97 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL14592809 0.89 TLR7 (0.51) TLR7KDM4EALDH1A1LMNAGAA
SCHEMBL4672516 0.87 TLR7 (0.63) TLR7
SCHEMBL483416 0.86 TLR7 (0.56) TLR7TLR8
SCHEMBL30345388 0.86 TLR7 (0.56) TLR7TLR8
SCHEMBL5357638 0.84 TLR7 (0.63) TLR7
SCHEMBL5349922 0.83 TLR7 (0.52) TLR7TLR8
SCHEMBL4552763 0.82 TLR7 (0.61) TLR7TLR8
SCHEMBL5356009 0.82 TLR7 (0.49) TLR7KDM4EALDH1A1GAAMAPT
SCHEMBL5350816 0.81 TLR7 (0.42) TLR7TLR8
SCHEMBL5343948 0.80 TLR7 (0.53) TLR7TLR8

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 12 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-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-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 DRD2 4865/4885ADRA1A 4232/4885DRD3 4875/4885
US-20040019048-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 DRD2 4865/4885ADRA1A 4232/4885DRD3 4875/4885
US-20040014754-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 DRD2 4865/4885ADRA1A 4232/4885DRD3 4875/4885
US-20050131009-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 DRD2 4865/4885ADRA1A 4232/4885DRD3 4875/4885

“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.