SCHEMBL16038679

SCHEMBL16038679

N=C(NCCN1CCCCC1)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.63
DYRK1B Q9Y463 11/20 0.63
GSK3A P49840 3/20 0.63
GSK3B P49841 3/20 0.63
DYRK3 O43781 2/20 0.51
CLK1 P49759 2/20 0.51
CLK2 P49760 2/20 0.51
DYRK2 Q92630 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
CLK3 P49761 1/20 0.51
DYRK4 Q9NR20 1/20 0.51
EGFR P00533 3/20 0.45
KDR P35968 2/20 0.45
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CDK2 P24941 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
SCHEMBL16040009 0.99 DYRK1A (0.64) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL16037135 0.92 DYRK1A (0.62) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733519 0.84 DYRK1A (0.65) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733549 0.84 DYRK1A (0.74) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL16038681 0.84 DYRK1A (0.69) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL17067251 0.83 DYRK1A (0.53) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL16037432 0.83 DYRK1A (0.63) DYRK1ADYRK1BEGFR
SCHEMBL16040010 0.83 DYRK1A (0.70) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733467 0.83 DYRK1A (0.69) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733590 0.82 DYRK1A (0.64) DYRK1ADYRK1BEGFR

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 11 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 claimed
EP-2744797-B1 DYRK1 INHIBITORS AND USES THEREOF DIAXONHIT (FR) 2015-09-09 EP claimed
US-20140275064-A1 DYRK1 INHIBITORS AND USES THEREOF DIAXONHIT (FR) 2014-09-18 US claimed
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
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
US-20140275064-A1 DYRK1 INHIBITORS AND USES THEREOF DIAXONHIT (FR) 2014-09-18 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-20140275064-A1 DYRK1 INHIBITORS AND USES THEREOF DYRK1A, DYRK1B, DYRK2 DYRK1A 1/4885DYRK1B 2/4885GSK3A 204/4885

“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.