SCHEMBL2033557

SCHEMBL2033557

Nc1nc2cc(CO)ccc2n1C1CCC(O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 2/20 0.53
▸ RPS6KB1 P23443 1/20 0.53
▸ IRAK4 Q9NWZ3 5/20 0.50
▸ RPS6KA5 O75582 1/20 0.40
▸ EGFR P00533 2/20 0.38
▸ MAP3K7 O43318 1/20 0.38
▸ IRAK1 P51617 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ EP300 Q09472 2/20 0.37
▸ NUDT1 P36639 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL2033562 1.00 PRKACA (0.53) PRKACARPS6KB1IRAK4RPS6KA5EGFR
SCHEMBL2027616 0.88 PRKACA (0.60) PRKACARPS6KB1IRAK4RPS6KA5KDM4E
SCHEMBL4565790 0.85 PRKACA (0.54) PRKACARPS6KB1IRAK4RPS6KA5EGFR
SCHEMBL20985390 0.85 PRKACA (0.49) PRKACARPS6KB1IRAK4RPS6KA5MAP3K7
SCHEMBL20985392 0.85 PRKACA (0.49) PRKACARPS6KB1IRAK4RPS6KA5MAP3K7
SCHEMBL21311054 0.81 PRKACA (0.50) PRKACARPS6KB1EGFRKDM4EALDH1A1
SCHEMBL1923774 0.81 CYP11B2 (0.49) IRAK4EGFRKDM4EALDH1A1MAPT
SCHEMBL1923775 0.81 CYP11B2 (0.49) IRAK4EGFRKDM4EALDH1A1MAPT
SCHEMBL21025771 0.80 PRKACA (0.49) PRKACARPS6KB1IRAK4RPS6KA5KDM4E
SCHEMBL21025907 0.80 PRKACA (0.49) PRKACARPS6KB1IRAK4RPS6KA5KDM4E

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 PRKACA 478/4885RPS6KB1 147/4885IRAK4 4/4885

“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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