SCHEMBL3862010

SCHEMBL3862010

CCOCc1nc2cnc3cc(Br)ccc3c2n1CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.52
TLR8 Q9NR97 7/20 0.44
NUDT1 P36639 1/20 0.33
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
DPP4 P27487 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 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
SCHEMBL22558937 0.87 TLR7 (0.68) TLR7TLR8NUDT1GAATSHR
SCHEMBL3866782 0.85 TLR7 (0.43) TLR7TLR8DPP4TSHR
SCHEMBL1490883 0.84 TLR7 (0.37) TLR7DPP4
SCHEMBL6722232 0.84 TLR7 (0.50) TLR7TLR8NUDT1NPSR1MEN1
SCHEMBL2368651 0.84 TLR7 (0.43) TLR7TLR8NUDT1GAAMEN1
SCHEMBL3862459 0.83 TLR7 (0.51) TLR7TLR8GAA
SCHEMBL1490828 0.83 TLR7 (0.45) TLR7TLR8NUDT1DPP4
SCHEMBL2370036 0.83 TLR7 (0.53) TLR7TLR8NUDT1
SCHEMBL3867066 0.83 TLR7 (0.43) TLR7TLR8NUDT1NPSR1MEN1
SCHEMBL3863639 0.82 TLR7 (0.44) TLR7TLR8NUDT1NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7597720-B2 Oxidizing hair colourant compositions THE PROCTER & GAMBLE COMPANY (US) 2009-10-06 US claimed
US-20090119852-A1 Oxidizing Hair Colourant Compositions WELLA OPERATIONS US, LLC 2009-05-14 US claimed
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 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 (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-20090119852-A1 Oxidizing Hair Colourant Compositions TET1, TET2, TET3 TLR7 3449/4885TLR8 2799/4885NUDT1 364/4885
US-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 TLR7 68/4885TLR8 220/4885NUDT1 648/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 68/4885TLR8 220/4885NUDT1 648/4885

“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.