SCHEMBL4530686

SCHEMBL4530686

CCc1nc2cnc3ccccc3c2n1CC#Cc1ccccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.38
TLR7 Q9NYK1 5/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PDE10A Q9Y233 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
USP1 O94782 2/20 0.32
WDR48 Q8TAF3 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL4524203 0.82 TLR7 (0.56) TLR7
SCHEMBL4533397 0.81 ADORA2B (0.39) ADORA2BTLR7MEN1KMT2APDPK1
SCHEMBL4533404 0.79 TLR7 (0.52) TLR7MEN1KMT2APDE10ARAB9A
SCHEMBL4539942 0.76 MAPT (0.42) TLR7MEN1KMT2ARAB9APOLB
SCHEMBL4519659 0.74 ALDH1A1 (0.38) MEN1KMT2ATDP1RAB9APOLB
SCHEMBL4535692 0.72 SMN1; SMN2 (0.39) MEN1KMT2ATDP1RAB9AALDH1A1
SCHEMBL4531255 0.72 MEN1 (0.43) ADORA2BMEN1KMT2ARAB9APOLB
SCHEMBL1895853 0.71 TLR7 (0.53) TLR7MEN1KMT2APDE10A
SCHEMBL4532466 0.70 TLR7 (0.43) TLR7MEN1KMT2APDE10AALDH1A1
SCHEMBL20796976 0.70 TLR7 (0.46) TLR7MEN1KMT2ATDP1PDE10A

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 2284/4885TLR7 67/4885MEN1 4795/4885

“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.