SCHEMBL15081349

SCHEMBL15081349

CN(C(=O)OC(C)(C)C)c1nn(C)c2ccc(N)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.36
▸ NR1H2 P55055 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ CSNK1A1 P48729 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ IKBKE Q14164 1/20 0.32
▸ TAOK1 Q7L7X3 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ HTR6 P50406 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31

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
SCHEMBL16164368 0.86 ELANE (0.35) BRD4NR1H2ELANEPAX8MAPK14
SCHEMBL15081366 0.86 MAP2K4 (0.42) BRD4NR1H2ELANEPAX8MAPK14
SCHEMBL16165048 0.82 CHEK1 (0.35) BRD4ELANEMAPK14CHEK1AURKA
SCHEMBL15081313 0.81 L3MBTL1 (0.47) ELANE
SCHEMBL23535658 0.77 HCAR3 (0.36) BRD4PAX8HTR2CSLC6A4
SCHEMBL30159550 0.77 HCAR3 (0.36) BRD4PAX8HTR2CSLC6A4
SCHEMBL16168979 0.75 PRKCI (0.37) DDB1CRBN
SCHEMBL30159691 0.75 NOTUM (0.40) BRD4
SCHEMBL23535765 0.75 NOTUM (0.40) BRD4
SCHEMBL3516297 0.75 ELANE (0.35) BRD4NR1H2ELANEMAPK14CHEK1

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-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 — — US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 — — US disclosed
WO-2013099041-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF 富士フイルム株式会社 (JP) 2013-07-04 — — 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-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 BRD4 49/4885NR1H2 2715/4885AAK1 1519/4885

“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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