SCHEMBL4539875

SCHEMBL4539875

CCc1nc2cnc3cc(C=CC(=O)N(C)C)ccc3c2n1CC(C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.42
HDAC1 Q13547 14/20 0.39
HDAC11 Q96DB2 6/20 0.39
HDAC8 Q9BY41 6/20 0.39
HDAC6 Q9UBN7 6/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
APP P05067 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
JAK3 P52333 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TLR8 Q9NR97 1/20 0.36

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
SCHEMBL4539872 1.00 TLR7 (0.42) TLR7HDAC1HDAC11HDAC8HDAC6
SCHEMBL4527454 0.79 TLR7 (0.39) TLR7HDAC1HDAC11HDAC8HDAC6
SCHEMBL4527451 0.79 TLR7 (0.39) TLR7HDAC1HDAC11HDAC8HDAC6
SCHEMBL4519462 0.79 TLR7 (0.42) TLR7HDAC1HDAC11HDAC8HDAC6
SCHEMBL3862141 0.77 TLR7 (0.45) TLR7TLR8
SCHEMBL1895853 0.74 TLR7 (0.53) TLR7TLR8
SCHEMBL4531126 0.71 TLR7 (0.70) TLR7TLR8
SCHEMBL4537459 0.71 TLR7 (0.70) TLR7TLR8
SCHEMBL4763017 0.70 BRD4 (0.44) TLR7HDAC1HDAC11HDAC8HDAC6
SCHEMBL4763020 0.70 BRD4 (0.44) TLR7HDAC1HDAC11HDAC8HDAC6

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.