SCHEMBL4533397

SCHEMBL4533397

CCc1nc2cnc3ccccc3c2n1CC#Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.39
GRM5 P41594 6/20 0.37
PDPK1 O15530 1/20 0.36
AKT1 P31749 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
GRM2 Q14416 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.34
EGFR P00533 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
LRRK2 Q5S007 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL4539925 0.83 TLR7 (0.53) TLR7
SCHEMBL4520921 0.81 ADORA2B (0.37) ADORA2BGRM5DRD2DRD4GRM2
SCHEMBL4530686 0.81 ADORA2B (0.38) ADORA2BPDPK1AKT1MEN1KMT2A
SCHEMBL4535692 0.81 SMN1; SMN2 (0.39) PDPK1AKT1MEN1KMT2AABCG2
SCHEMBL4539942 0.78 MAPT (0.42) MEN1KMT2ATLR7
SCHEMBL4519659 0.76 ALDH1A1 (0.38) PDPK1AKT1MEN1KMT2ALMNA
SCHEMBL4531255 0.76 MEN1 (0.43) ADORA2BMEN1KMT2ALMNAEGFR
SCHEMBL4533404 0.74 TLR7 (0.52) MEN1KMT2ATLR7
SCHEMBL4519524 0.73 TLR7 (0.51) TLR7
SCHEMBL1895853 0.69 TLR7 (0.53) MEN1KMT2ATLR7

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 ADORA2B 2284/4885GRM5 3795/4885PDPK1 1504/4885

“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.