SCHEMBL30662172

SCHEMBL30662172

CCOCc1nc2c(N)nc3cccc(OCCOC(C)C)c3c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 10/20 0.39
DCPS Q96C86 3/20 0.33
DHFR P00374 2/20 0.33
CYBB P04839 2/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
PRKCD Q05655 1/20 0.33
PAK1 Q13153 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2G Q13555 1/20 0.33
CAMK2D Q13557 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
PIK3CD O00329 1/20 0.33
TLR8 Q9NR97 4/20 0.33
CDK8 P49336 1/20 0.32
CDK5 Q00535 1/20 0.32
ROCK1 Q13464 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
NOX5 Q96PH1 1/20 0.32
TLR7 Q9NYK1 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
SCHEMBL21712361 1.00 NCF1 (0.39) NCF1DCPSDHFRCYBBCSNK1A1
SCHEMBL30662199 0.89 TLR8 (0.45) NCF1DCPSDHFRCSNK1A1CSNK1D
SCHEMBL21712374 0.89 TLR8 (0.45) NCF1DCPSDHFRCSNK1A1CSNK1D
SCHEMBL20547228 0.87 TLR8 (0.36) NCF1DCPSDHFRCYBBCSNK1A1
SCHEMBL21712357 0.87 TLR8 (0.43) NCF1DCPSDHFRTLR8CDK8
SCHEMBL30662197 0.87 TLR8 (0.43) NCF1DCPSDHFRTLR8CDK8
Hydrochloric Acid SCHEMBL30612948 0.87 TLR8 (0.36) NCF1DCPSDHFRCYBBCSNK1A1
Hydrochloric Acid SCHEMBL21712391 0.87 TLR8 (0.36) NCF1DCPSDHFRCYBBCSNK1A1
SCHEMBL21712416 0.85 TLR8 (0.35) NCF1DCPSDHFRTLR8CDK8
SCHEMBL30662183 0.85 TLR8 (0.35) NCF1DCPSDHFRTLR8CDK8

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
CN-118515666-A 2-Amino-quinoline derivatives 博笛生物科技有限公司 2024-08-20 CN disclosed
US-11834448-B2 2-amino-quinoline derivatives BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2023-12-05 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-11834448-B2 2-amino-quinoline derivatives TLR7, TLR8, TLR1 NCF1 2102/4885DCPS 996/4885DHFR 4067/4885

“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.