SCHEMBL2031499

SCHEMBL2031499

CC(C)(C)[Si](C)(C)OCc1ccc2c(c1)nc(N)n2-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ USP14 P54578 1/20 0.36
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ SIRT1 Q96EB6 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CACNA1D Q01668 1/20 0.34
▸ HCAR1 Q9BXC0 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CSF1R P07333 3/20 0.33
▸ PDE10A Q9Y233 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PRKACA P17612 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ ROCK1 Q13464 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
SCHEMBL21725695 0.80 ACSS2 (0.39) SIRT2RPS6KB1
SCHEMBL1924434 0.77 ALDH1A1 (0.49) ALDH1A1HTTPOLBSIRT2SIRT1
SCHEMBL2031496 0.76 KDM4E (0.45) ALDH1A1USP14HCAR1KDM4EPRKACA
SCHEMBL2031672 0.72 MET (0.39) ALDH1A1USP14KDM4EPRKACARPS6KB1
SCHEMBL2031673 0.72 MET (0.39) ALDH1A1USP14KDM4EPRKACARPS6KB1
SCHEMBL6229878 0.71 ALDH1A1 (0.71) ALDH1A1HTTPOLBHSD17B10HCAR1
SCHEMBL1924005 0.70 MAP3K7 (0.52) ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL7246248 0.70 TP53 (0.38) POLB
SCHEMBL1315036 0.69 IDO1 (0.46) ALDH1A1MAPK1
SCHEMBL14315230 0.69 ALDH1A1 (0.51) ALDH1A1HTTPOLBHSD17B10HCAR1

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-8293923-B2 Indazole derivatives as modulators of interleukin-1 receptor-associated kinase BIOGEN IDEC MA INC. (US) 2012-10-23 — — US disclosed
US-20110152260-A1 Indazole derivatives as modulators of interleukin-1 receptor-associated kinase BIOGEN IDEC MA INC. (US) 2011-06-23 — — 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-20110152260-A1 Indazole derivatives as modulators of interleukin-1 receptor-associated kinase IRAK1, IRAK2, IRAK3 ALDH1A1 979/4885HTT 4167/4885POLB 3989/4885

“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.

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