SCHEMBL4533404

SCHEMBL4533404

C#CCn1c(CC)nc2cnc3ccccc3c21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.52
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PDE10A Q9Y233 1/20 0.38
RECQL P46063 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.36
BRD4 O60885 1/20 0.36
GPR3 P46089 1/20 0.35

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
SCHEMBL4532466 0.85 TLR7 (0.43) TLR7MEN1KMT2ATP53SMN1; SMN2
SCHEMBL8565615 0.80 TSHR (0.47) TLR7MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL20796976 0.80 TLR7 (0.46) TLR7MEN1KMT2ATP53SMN1; SMN2
SCHEMBL5355677 0.79 MAPT (0.44) TLR7MEN1KMT2ATP53SMN1; SMN2
SCHEMBL4530686 0.79 ADORA2B (0.38) TLR7MEN1KMT2AKDM4EALDH1A1
SCHEMBL1895853 0.78 TLR7 (0.53) TLR7MEN1KMT2APDE10A
SCHEMBL5367964 0.78 TLR7 (0.40) TLR7MEN1KMT2ATP53SMN1; SMN2
SCHEMBL27725059 0.78 TLR7 (0.42) TLR7MEN1KMT2ATP53SMN1; SMN2
SCHEMBL5352808 0.78 MAPT (0.46) TLR7MEN1KMT2ATP53SMN1; SMN2
SCHEMBL4539942 0.77 MAPT (0.42) TLR7MEN1KMT2ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802853-B2 Arylalkenyl and arylalkynyl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-08-12 US disclosed
US-20090030030-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2009-01-29 US disclosed
EP-1701955-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-09-20 EP disclosed
WO-2005066170-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 WO 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 (1 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-20090030030-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 67/4885MEN1 4795/4885KMT2A 3052/4885

“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.