SCHEMBL30177181

SCHEMBL30177181

c1ccc2nn(C3CCOCC3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 14/20 0.42
MET P08581 2/20 0.39
KDM5A P29375 1/20 0.39
POLB P06746 1/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
LRRK2 Q5S007 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
SCHEMBL17404485 0.88 KDM5A (0.43) KDM5A
SCHEMBL29303031 0.84 KDM5A (0.41) KDM5A
SCHEMBL29303756 0.83 KDM5A (0.38) IRAK4KDM5APOLB
SCHEMBL28549617 0.83 HRH3 (0.42) KDM5A
SCHEMBL20809468 0.80 TLR8 (0.52) IRAK4METKDM5A
Hydrochloric Acid SCHEMBL28859567 0.79 TLR8 (0.51) IRAK4METKDM5A
SCHEMBL15910733 0.78 IRAK4 (0.45) IRAK4JAK2JAK1TYK2
SCHEMBL30122249 0.78 IRAK4 (0.41) IRAK4
SCHEMBL31559923 0.78 IRAK4 (0.41) IRAK4
SCHEMBL27004828 0.78 IRAK4 (0.44) 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-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-01-05 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-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK3, IRAK2 IRAK4 1/4885MET 940/4885KDM5A 156/4885

“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.