SCHEMBL5360897

SCHEMBL5360897

Cc1nc2cnc3ccccc3c2n1CCCCCCCl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HTR1A P08908 4/20 0.42
HTR7 P34969 4/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
TLR7 Q9NYK1 5/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TNF P01375 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL5353182 0.99 TSHR (0.45) TSHRHTR1AHTR7LMNATP53
SCHEMBL5358003 0.95 TSHR (0.46) TSHRHTR1AHTR7LMNATP53
SCHEMBL10587326 0.90 TLR7 (0.48) TSHRHTR1AHTR7LMNATP53
SCHEMBL6107590 0.87 TSHR (0.56) TSHRHTR1AHTR7LMNATP53
SCHEMBL5357246 0.86 TSHR (0.41) TSHRHTR1AHTR7LMNATP53
SCHEMBL6730778 0.85 TSHR (0.45) TSHRHTR1AHTR7LMNATP53
SCHEMBL6106195 0.85 TSHR (0.61) TSHRHTR1AHTR7LMNATP53
SCHEMBL5358429 0.85 TSHR (0.42) TSHRHTR1AHTR7LMNATP53
SCHEMBL5354124 0.84 TSHR (0.43) TSHRHTR1AHTR7LMNATP53
SCHEMBL7546284 0.83 HRH3 (0.45) TSHRHTR1AHTR7LMNATP53

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-7276515-B2 Thioether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-10-02 US disclosed
US-6949649-B2 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2005-09-27 US disclosed
US-20050209268-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-09-22 US disclosed
EP-1451191-A1 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2004-09-01 EP disclosed
US-20040097736-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-05-20 US disclosed
US-6667312-B2 Useful as immune response modifiers 3M INNOVATIVE PROPERTIES COMPANY 2003-12-23 US disclosed
WO-2003050121-A1 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
US-20030100764-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 US 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-20050209268-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 TSHR 730/4885HTR1A 4708/4885HTR7 4158/4885
US-20040097736-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 TSHR 730/4885HTR1A 4708/4885HTR7 4158/4885
US-20030100764-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 TSHR 730/4885HTR1A 4708/4885HTR7 4158/4885

“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.