SCHEMBL4530124

SCHEMBL4530124

C#CCn1c(CC)nc2c[n+]([O-])c3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TLR7 Q9NYK1 7/20 0.36
TSHR P16473 3/20 0.34
MAPK1 P28482 2/20 0.34
RECQL P46063 1/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL4535538 0.79 MAPT (0.35) MEN1KMT2ATSHRTP53SMN1; SMN2
SCHEMBL5654375 0.77 LMNA (0.40) MEN1KMT2ATLR7TSHRMAPK1
SCHEMBL4520921 0.76 ADORA2B (0.37) TLR7LMNA
SCHEMBL4531674 0.76 MEN1 (0.42) MEN1KMT2ATSHRRECQLSMN1; SMN2
SCHEMBL4533404 0.75 TLR7 (0.52) MEN1KMT2ATLR7TSHRMAPK1
SCHEMBL1894486 0.75 TLR7 (0.40) MEN1KMT2ATLR7TSHRMAPK1
SCHEMBL10728090 0.75 TSHR (0.41) MEN1KMT2ATLR7TSHRMAPK1
SCHEMBL20797076 0.73 MAPT (0.40) MEN1KMT2ATLR7TSHRMAPK1
SCHEMBL30851293 0.73 MAPT (0.40) MEN1KMT2ATLR7TSHRMAPK1
SCHEMBL14288487 0.73 TLR7 (0.39) MEN1KMT2ATLR7NPC1RAB9A

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 MEN1 4795/4885KMT2A 3052/4885TLR7 67/4885

“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.