SCHEMBL20377779

SCHEMBL20377779

Nc1cc2cn(C3CCN(C(=O)O)CC3)nc2cc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 17/20 0.35
KDM5A P29375 1/20 0.35
TLR8 Q9NR97 2/20 0.33

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
SCHEMBL20377818 0.83 IRAK4 (0.42) IRAK4
SCHEMBL20769478 0.82 IRAK4 (0.47) IRAK4
SCHEMBL16899031 0.82 TLR8 (0.36) IRAK4TLR8
SCHEMBL20377768 0.81 L3MBTL3 (0.34) IRAK4KDM5A
SCHEMBL26684343 0.80 KDM4E (0.42) IRAK4KDM5ATLR8
SCHEMBL29384539 0.80 IRAK4 (0.39) IRAK4
SCHEMBL26684084 0.75 KDM5A (0.40) IRAK4KDM5A
SCHEMBL20135458 0.74 KDM5A (0.53) KDM5A
SCHEMBL29384558 0.73 L3MBTL3 (0.37) IRAK4KDM5ATLR8
SCHEMBL29386238 0.73 IRAK4 (0.43) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201609-A1 INDAZOLE AND AZAINDAZOLE COMPOUNDS AS IRAK-4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-07-19 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-20180201609-A1 INDAZOLE AND AZAINDAZOLE COMPOUNDS AS IRAK-4 INHIBITORS IRAK4, IRAK3, IRAK2 IRAK4 1/4885KDM5A 220/4885TLR8 70/4885

“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.