SCHEMBL15885857

SCHEMBL15885857

Cn1ccc(-c2ccnc(NC(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.55
DYRK1A Q13627 3/20 0.47
GSK3B P49841 1/20 0.47
JMJD6 Q6NYC1 7/20 0.47
TGFBR1 P36897 1/20 0.45
WNT1 P04628 1/20 0.43
AAK1 Q2M2I8 7/20 0.41
PIK3C3 Q8NEB9 1/20 0.40
MKNK1 Q9BUB5 3/20 0.40
MYLK2 Q9H1R3 3/20 0.40
CIT O14578 2/20 0.40
GAK O14976 2/20 0.40
DAPK1 P53355 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
BMP2K Q9NSY1 2/20 0.40
ROCK2 O75116 1/20 0.40
CYP3A4 P08684 1/20 0.40
TNIK Q9UKE5 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL17240174 0.82 JMJD6 (0.54) DYRK1AGSK3BJMJD6WNT1PIK3C3
SCHEMBL19706503 0.82 PIK3C3 (0.51) DYRK1AJMJD6WNT1PIK3C3
SCHEMBL17247806 0.79 IRAK4 (0.54) IRAK4DYRK1AGSK3BTGFBR1AAK1
SCHEMBL27039833 0.79 PORCN (0.50) IRAK4DYRK1AGSK3BTGFBR1AAK1
SCHEMBL13472107 0.79 SMN1; SMN2 (0.54) DYRK1AGSK3B
SCHEMBL19699521 0.79 DYRK1A (0.48) DYRK1AGSK3BJMJD6WNT1PIK3C3
SCHEMBL5251219 0.78 EGFR (0.57) IRAK4DYRK1AGSK3BTGFBR1AAK1
SCHEMBL8670718 0.77 FDPS (0.50) IRAK4DYRK1AGSK3BTGFBR1AAK1
SCHEMBL29992322 0.77 AAK1 (0.48) IRAK4DYRK1AGSK3BTGFBR1AAK1
SCHEMBL17643492 0.77 AAK1 (0.48) IRAK4DYRK1AGSK3BTGFBR1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
EP-2944637-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM Corporation (JP) 2015-11-18 EP disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 US disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 US disclosed
WO-2014109414-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF 富士フイルム株式会社 (JP) 2014-07-17 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-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF NPM1, NAP1L1, REN IRAK4 3682/4885DYRK1A 4462/4885GSK3B 3545/4885

“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.