SCHEMBL2027616

SCHEMBL2027616

Nc1nc2cc(CO)ccc2n1C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 7/20 0.60
▸ RPS6KB1 P23443 5/20 0.60
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HCAR1 Q9BXC0 1/20 0.44
▸ GSK3B P49841 6/20 0.40
▸ ROCK1 Q13464 5/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ MTOR P42345 1/20 0.39
▸ RPS6KA5 O75582 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ OGFRL1 Q5TC84 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.36

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 0.88 PRKACA (0.53) PRKACARPS6KB1KDM4EALDH1A1MAPT
SCHEMBL2033557 0.88 PRKACA (0.53) PRKACARPS6KB1KDM4EALDH1A1MAPT
SCHEMBL4565790 0.86 PRKACA (0.54) PRKACARPS6KB1KDM4EALDH1A1MAPT
SCHEMBL20985392 0.84 PRKACA (0.49) PRKACARPS6KB1KDM4EALDH1A1MAPT
SCHEMBL20985390 0.84 PRKACA (0.49) PRKACARPS6KB1KDM4EALDH1A1MAPT
SCHEMBL1926108 0.83 ALDH1A1 (0.47) PRKACARPS6KB1KDM4EALDH1A1MAPT
SCHEMBL2361197 0.82 KDM4E (0.49) PRKACARPS6KB1KDM4EALDH1A1MAPT
SCHEMBL21025907 0.78 PRKACA (0.49) PRKACARPS6KB1KDM4EALDH1A1MAPT
SCHEMBL21025771 0.78 PRKACA (0.49) PRKACARPS6KB1KDM4EALDH1A1MAPT
SCHEMBL29937671 0.78 PRKACA (0.49) PRKACARPS6KB1KDM4EALDH1A1MAPT

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 4 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
EP-2061786-A2 INDAZOLE DERIVATIVES AS MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE Biogen Idec MA Inc. (US) 2009-05-27 — — EP disclosed
WO-2008030584-A2 INDAZOLE DERIVATIVES AS MODULATORS OF INTERLEUKIN- 1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2008-03-13 — — WO 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 147/4885KDM4E 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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