SCHEMBL14733441

SCHEMBL14733441

COC(=N)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 1.00
DYRK1B Q9Y463 15/20 1.00
GSK3A P49840 3/20 1.00
GSK3B P49841 3/20 1.00
DYRK3 O43781 2/20 0.79
CLK1 P49759 2/20 0.79
CLK2 P49760 2/20 0.79
DYRK2 Q92630 2/20 0.79
CLK4 Q9HAZ1 2/20 0.79
CLK3 P49761 1/20 0.79
DYRK4 Q9NR20 1/20 0.79
CDK1 P06493 1/20 0.67
CDK4 P11802 1/20 0.67
CDK2 P24941 1/20 0.67

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
SCHEMBL31061183 1.00 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733513 0.91 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733597 0.90 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL31061513 0.90 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL19473712 0.89 DYRK1A (0.82) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL31061081 0.89 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733544 0.89 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL29398334 0.89 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733473 0.89 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733522 0.88 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3

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
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
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 2/4885GSK3A 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.