SCHEMBL2031496

SCHEMBL2031496

CC(C)(C)[Si](C)(C)OCc1ccc2c(c1)nc(N)n2C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PRKACA P17612 7/20 0.41
▸ RPS6KB1 P23443 7/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GSK3B P49841 6/20 0.38
▸ ROCK1 Q13464 5/20 0.37
▸ HCAR1 Q9BXC0 1/20 0.37
▸ USP14 P54578 1/20 0.36
▸ CNR2 P34972 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ RPS6KA5 O75582 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 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
SCHEMBL2031673 0.89 MET (0.39) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL2031672 0.89 MET (0.39) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL2361197 0.78 KDM4E (0.49) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL2027616 0.78 PRKACA (0.60) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL2031499 0.76 ALDH1A1 (0.42) KDM4EALDH1A1PRKACARPS6KB1GSK3B
SCHEMBL1926108 0.75 ALDH1A1 (0.47) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL19892305 0.74 TEC (0.41) —
SCHEMBL2361800 0.72 KDM4E (0.49) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL18316947 0.70 PDE8B (0.40) —
SCHEMBL2361255 0.70 HTR2B (0.51) KDM4EALDH1A1MAPTGFERTDP1

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 KDM4E 1865/4885ALDH1A1 979/4885MAPT 1349/4885

“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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