SCHEMBL4537564

SCHEMBL4537564

CCc1nc2cnc3cc(CCN4C(=O)c5ccccc5C4=O)ccc3c2n1CC(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
PDE10A Q9Y233 5/20 0.38
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR8 Q9NR97 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC2 Q92769 1/20 0.35
PTK2B Q14289 1/20 0.35

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
SCHEMBL4537556 0.84 TLR7 (0.58) TLR7TLR8
SCHEMBL4527451 0.80 TLR7 (0.39) TLR7HDAC1HDAC11HDAC8HDAC6
SCHEMBL4527454 0.80 TLR7 (0.39) TLR7HDAC1HDAC11HDAC8HDAC6
SCHEMBL4519462 0.79 TLR7 (0.42) TLR7HDAC1HDAC11HDAC8HDAC6
SCHEMBL1895853 0.77 TLR7 (0.53) TLR7PDE10ATLR8KMT2AMEN1
SCHEMBL3862141 0.75 TLR7 (0.45) TLR7TLR8
SCHEMBL1897263 0.71 TLR7 (0.58) TLR7TLR8TSHR
SCHEMBL5456946 0.70 POLB (0.44) TLR7PDE10AALDH1A1TLR8KMT2A
SCHEMBL3863839 0.70 TLR7 (0.46) TLR7TLR8
SCHEMBL1897834 0.69 TLR7 (0.66) TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658666-B2 Substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-02-25 US disclosed
US-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines COLEY PHARMACEUTIAL GROUP, INC. (NY) 2009-04-16 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 (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-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines IL2, EIF2AK2, IFNG TLR7 35/4885HDAC1 562/4885HDAC11 1084/4885

“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.