SCHEMBL16038704

SCHEMBL16038704

CN(C)CCN=C(N)c1nc2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 18/20 1.00
DYRK1B Q9Y463 7/20 0.64
GSK3A P49840 3/20 0.64
GSK3B P49841 3/20 0.64
CCNB2 O95067 2/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
CCNB3 Q8WWL7 2/20 0.49
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48

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
SCHEMBL16037599 0.92 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3B
SCHEMBL16039606 0.86 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3B
SCHEMBL16037539 0.85 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3B
SCHEMBL16038371 0.85 DYRK1A (0.73) DYRK1ADYRK1BGSK3AGSK3BCDK1
SCHEMBL16037834 0.84 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3B
SCHEMBL16038270 0.83 DYRK1A (0.71) DYRK1ADYRK1BGSK3AGSK3BCCNB2
SCHEMBL16038701 0.83 DYRK1A (0.71) DYRK1ADYRK1BGSK3AGSK3B
SCHEMBL16038124 0.82 DYRK1A (0.84) DYRK1ADYRK1BGSK3AGSK3BCCNB2
SCHEMBL14733551 0.82 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3B
SCHEMBL17060624 0.82 DYRK1A (1.00) 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 6 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
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

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.