SCHEMBL5354035

SCHEMBL5354035

CC(C)(C)OC(=O)NCCCn1c(CCCOc2ccccc2)nc2cnc3ccccc3c21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TLR7 Q9NYK1 5/20 0.47
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
ACKR3 P25106 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DYRK1A Q13627 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
SCHEMBL4551314 0.90 TLR7 (0.54) SMN1; SMN2HTTTLR7TP53
SCHEMBL5362881 0.89 TLR7 (0.45) MAPTSMN1; SMN2HTTRECQLNPSR1
SCHEMBL24723244 0.88 TLR7 (0.54) SMN1; SMN2HTTTLR7TP53
SCHEMBL1232968 0.87 TLR7 (0.45) TLR7DYRK1A
SCHEMBL2743673 0.87 STING1 (0.45) MAPTTLR7TP53MEN1KMT2A
SCHEMBL3968312 0.86 TLR7 (0.49) SMN1; SMN2TLR7TP53
SCHEMBL6494409 0.86 TLR7 (0.54) HTTTLR7TP53
SCHEMBL5346532 0.86 TLR7 (0.62) TLR7
SCHEMBL3970752 0.86 TLR7 (0.52) SMN1; SMN2HTTTLR7TP53
SCHEMBL5365500 0.85 MAPT (0.46) MAPTRAB9AATMSMN1; SMN2HTT

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 MAPT 2835/4885RAB9A 3239/4885ATM 2083/4885
US-20040019048-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 MAPT 2835/4885RAB9A 3239/4885ATM 2083/4885
US-20050131009-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 MAPT 2835/4885RAB9A 3239/4885ATM 2083/4885

“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.