SCHEMBL5348805

SCHEMBL5348805

Cc1nc2c[n+]([O-])c3ccccc3c2n1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
DYRK1A Q13627 1/20 0.45
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
BRD4 O60885 4/20 0.42
BCHE P06276 1/20 0.40
IDO1 P14902 2/20 0.40
DRD2 P14416 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL8135396 0.97 PIM1 (0.47) CNR2DYRK1APIM1PIM3BRD4
SCHEMBL5109147 0.90 BCHE (0.39) CNR2PIM1PIM3BRD4BCHE
SCHEMBL5364616 0.87 TLR7 (0.48) CNR2DYRK1APIM1PIM3LMNA
SCHEMBL5346497 0.87 TLR7 (0.48) CNR2DYRK1APIM1PIM3BCHE
SCHEMBL1952878 0.87 CNR2 (0.44) CNR2DYRK1APIM1PIM3IDO1
SCHEMBL25962881 0.85 TLR7 (0.49) CNR2PIM1PIM3LMNAHTT
SCHEMBL5365500 0.84 MAPT (0.46) CNR2DYRK1APOLBMAPTHTT
SCHEMBL1951717 0.84 PIM1 (0.44) CNR2DYRK1APIM1PIM3IDO1
SCHEMBL5349379 0.83 CNR2 (0.44) CNR2DYRK1APIM1PIM3BCHE
SCHEMBL1948125 0.82 CNR2 (0.39) CNR2DYRK1APIM1PIM3BCHE

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 CNR2 2428/4885DYRK1A 4727/4885PIM1 370/4885
US-20040019048-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 CNR2 2428/4885DYRK1A 4727/4885PIM1 370/4885
US-20050131009-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 CNR2 2428/4885DYRK1A 4727/4885PIM1 370/4885

“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.