SCHEMBL14733498

SCHEMBL14733498

COc1ccc(Nc2ncnc3ccc4nc(C#N)sc4c23)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 18/20 0.72
DYRK1B Q9Y463 12/20 0.72
EGFR P00533 1/20 0.47
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL14733505 0.86 DYRK1A (0.68) DYRK1ADYRK1BEGFRGSK3AGSK3B
SCHEMBL14733589 0.86 DYRK1A (0.69) DYRK1ADYRK1BEGFRABCG2
SCHEMBL14733561 0.84 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3B
SCHEMBL17060594 0.84 DYRK1A (0.81) DYRK1ADYRK1BGSK3AGSK3B
SCHEMBL14733489 0.84 DYRK1A (0.71) DYRK1ADYRK1BGSK3AGSK3B
SCHEMBL14733586 0.81 DYRK1A (0.68) DYRK1ADYRK1BEGFR
SCHEMBL14733487 0.79 DYRK1A (0.67) DYRK1ADYRK1BGSK3AGSK3B
SCHEMBL14733497 0.78 DYRK1A (0.67) DYRK1ADYRK1BGSK3AGSK3B
SCHEMBL14733529 0.76 DYRK1A (0.62) DYRK1ADYRK1BGSK3AGSK3B
SCHEMBL14733493 0.75 DYRK1A (0.63) DYRK1ADYRK1BGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446044-B2 DYRK1 inhibitors and uses thereof DIAXONHIT (FR) 2016-09-20 US disclosed
US-9446044-B2 DYRK1 inhibitors and uses thereof DIAXONHIT (FR) 2016-09-20 US disclosed
EP-2744797-B1 DYRK1 INHIBITORS AND USES THEREOF DIAXONHIT (FR) 2015-09-09 EP disclosed
EP-2744797-B1 DYRK1 INHIBITORS AND USES THEREOF DIAXONHIT (FR) 2015-09-09 EP disclosed
US-20140275064-A1 DYRK1 INHIBITORS AND USES THEREOF DIAXONHIT (FR) 2014-09-18 US disclosed
US-20140275064-A1 DYRK1 INHIBITORS AND USES THEREOF DIAXONHIT (FR) 2014-09-18 US disclosed
WO-2013026806-A1 DYRK1 INHIBITORS AND USES THEREOF EXONHIT SA (FR) 2013-02-28 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-20140275064-A1 DYRK1 INHIBITORS AND USES THEREOF DYRK1A, DYRK1B, DYRK2 DYRK1A 1/4885DYRK1B 2/4885EGFR 1408/4885

“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.