SCHEMBL17240174

SCHEMBL17240174

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 8/20 0.54
DYRK1A Q13627 3/20 0.51
WNT1 P04628 1/20 0.47
PIK3C3 Q8NEB9 2/20 0.45
IKBKE Q14164 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
KMT2A Q03164 1/20 0.44
PRKD1 Q15139 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
PIP5K1C O60331 1/20 0.43
GSK3B P49841 1/20 0.43
NR3C2 P08235 2/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL19706503 0.89 PIK3C3 (0.51) JMJD6DYRK1AWNT1PIK3C3
SCHEMBL19699521 0.85 DYRK1A (0.48) JMJD6DYRK1AWNT1PIK3C3IKBKE
SCHEMBL15885857 0.82 IRAK4 (0.55) JMJD6DYRK1AWNT1PIK3C3GSK3B
SCHEMBL17240207 0.76 L3MBTL1 (0.49) PIK3C3GSK3BNR3C2EGFR
SCHEMBL31706103 0.75 JMJD6 (0.62) JMJD6IKBKETBK1KMT2A
SCHEMBL31706726 0.75 JMJD6 (0.62) JMJD6IKBKETBK1KMT2A
SCHEMBL29796107 0.75 KMT2A (0.53) KMT2A
SCHEMBL30510109 0.75 JMJD6 (0.51) JMJD6DYRK1AKMT2APIP5K1C
SCHEMBL15885529 0.75 JMJD6 (0.51) JMJD6DYRK1AKMT2APIP5K1C
SCHEMBL17872874 0.75 KDM4E (0.51) DYRK1AGSK3BEGFR

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
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP 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

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 JMJD6 1669/4885DYRK1A 4462/4885WNT1 218/4885

“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.