SCHEMBL2029552

SCHEMBL2029552

Nc1cc(CO)ccc1NC1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.41
▸ HSP90AA1 P07900 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PRKCQ Q04759 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ BRAF P15056 1/20 0.34

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
SCHEMBL2029554 1.00 ALOX15 (0.41) ALOX15HSP90AA1KDM4EGAAMAPT
SCHEMBL2030704 0.86 ALOX15 (0.54) ALOX15KDM4EGAAMAPTPIM1
SCHEMBL29741328 0.78 AAK1 (0.46) ALOX15HSP90AA1KDM4EGAAMAPT
SCHEMBL7185544 0.78 HSP90AA1 (0.43) ALOX15HSP90AA1KDM4EGAAMAPT
SCHEMBL20094079 0.78 AAK1 (0.46) ALOX15HSP90AA1KDM4EGAAMAPT
SCHEMBL13500619 0.78 HSP90AA1 (0.43) ALOX15HSP90AA1KDM4EGAAMAPT
SCHEMBL7185539 0.78 HSP90AA1 (0.43) ALOX15HSP90AA1KDM4EGAAMAPT
SCHEMBL20096321 0.78 AAK1 (0.46) ALOX15HSP90AA1KDM4EGAAMAPT
SCHEMBL21293969 0.78 AAK1 (0.46) ALOX15HSP90AA1KDM4EGAAMAPT
SCHEMBL16311212 0.77 ALOX15 (0.39) ALOX15KDM4EGAAMAPTIRAK4

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 ALOX15 2687/4885HSP90AA1 1911/4885KDM4E 1865/4885

“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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