SCHEMBL18386989

SCHEMBL18386989

CC(C)(C)OC(=O)NC1CCCN(c2ccn3ncc(C(=O)O)c3n2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.54
▸ JAK3 P52333 2/20 0.53
▸ BTK Q06187 1/20 0.53
▸ RET P07949 3/20 0.48
▸ PDE10A Q9Y233 1/20 0.47
▸ IRAK4 Q9NWZ3 7/20 0.47
▸ AURKA O14965 3/20 0.46
▸ PDPK1 O15530 3/20 0.46
▸ AURKB Q96GD4 3/20 0.46
▸ EGFR P00533 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ SUV39H2 Q9H5I1 1/20 0.45
▸ KIF18A Q8NI77 1/20 0.45

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
SCHEMBL18386697 0.94 SUV39H2 (0.50) MAP4K4JAK3BTKPDE10AIRAK4
SCHEMBL30267297 0.90 JAK3 (0.51) MAP4K4JAK3BTKRETPDE10A
SCHEMBL31205530 0.84 IRAK4 (0.48) PDE10AIRAK4SUV39H2
SCHEMBL31236411 0.84 IRAK4 (0.48) IRAK4
SCHEMBL15280693 0.83 SUV39H2 (0.56) MAP4K4JAK3BTKPDE10ASUV39H2
SCHEMBL31441616 0.83 SUV39H2 (0.56) MAP4K4JAK3BTKPDE10ASUV39H2
SCHEMBL21996805 0.83 IRAK4 (0.49) MAP4K4IRAK4
SCHEMBL30267215 0.82 MAP4K4 (0.57) MAP4K4JAK3BTKRETPDE10A
SCHEMBL30267076 0.82 MAP4K4 (0.57) MAP4K4JAK3BTKRETPDE10A
SCHEMBL30267391 0.80 IRAK4 (0.58) IRAK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208605-A1 Substituted Aza Compounds as IRAK-4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-07-26 — — US disclosed
US-20180208605-A1 Substituted Aza Compounds as IRAK-4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-07-26 — — US disclosed
WO-2017009806-A1 SUBSTITUTED AZA COMPOUNDS AS IRAK-4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-01-19 — — 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-20180208605-A1 Substituted Aza Compounds as IRAK-4 Inhibitors IRAK4, IRAK2, IRAK1 MAP4K4 256/4885JAK3 145/4885BTK 46/4885

“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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