SCHEMBL2344922

SCHEMBL2344922

NC(=O)c1cnc(Nc2ccc(O)cc2)cc1N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.58
JAK3 P52333 16/20 0.52
JAK1 P23458 9/20 0.52
JAK2 O60674 8/20 0.52
TYK2 P29597 5/20 0.52
HSD11B1 P28845 3/20 0.39

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
SCHEMBL2344933 1.00 IRAK4 (0.58) IRAK4JAK3JAK1JAK2TYK2
SCHEMBL12322689 1.00 IRAK4 (0.58) IRAK4JAK3JAK1JAK2TYK2
SCHEMBL2344938 1.00 IRAK4 (0.58) IRAK4JAK3JAK1JAK2TYK2
SCHEMBL12321401 0.91 IRAK4 (0.57) IRAK4JAK3JAK1JAK2TYK2
SCHEMBL2342512 0.91 JAK3 (0.56) IRAK4JAK3JAK1JAK2TYK2
SCHEMBL12321546 0.91 JAK3 (0.56) IRAK4JAK3JAK1JAK2TYK2
SCHEMBL2342508 0.91 JAK3 (0.56) IRAK4JAK3JAK1JAK2TYK2
SCHEMBL12322005 0.91 JAK3 (0.56) IRAK4JAK3JAK1JAK2TYK2
SCHEMBL2342502 0.91 JAK3 (0.56) IRAK4JAK3JAK1JAK2TYK2
SCHEMBL12321891 0.90 IRAK4 (0.56) IRAK4JAK3JAK1JAK2TYK2

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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2361902-A1 4,6-DIAMINONICOTINAMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-08-31 EP 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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 IRAK4 14/4885JAK3 1/4885JAK1 3/4885

“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.