SCHEMBL2942586

SCHEMBL2942586

CCC(CO)Nc1ccc2ncc(-c3cccc(C(N)=O)c3)n2n1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 0.84
DYRK2 Q92630 19/20 0.84
DYRK1B Q9Y463 19/20 0.84
DYRK3 O43781 17/20 0.84
CDK5 Q00535 12/20 0.81
CDK5R1 Q15078 12/20 0.81
CCNA2 P20248 11/20 0.81
CDK2 P24941 11/20 0.81
CCNT1 O60563 12/20 0.78
CDK9 P50750 12/20 0.78
CLK1 P49759 1/20 0.72
CLK2 P49760 1/20 0.72
CLK3 P49761 1/20 0.72
CLK4 Q9HAZ1 1/20 0.72
FYN P06241 1/20 0.69

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
SCHEMBL103266 0.91 DYRK1A (0.85) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL102233 0.87 DYRK1A (1.00) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL2941590 0.86 FYN (0.75) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL102235 0.84 DYRK1A (1.00) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL102656 0.84 DYRK1A (0.79) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL2950347 0.84 DYRK1A (0.79) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL102951 0.82 DYRK1A (0.76) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL2948783 0.82 FYN (1.00) DYRK1ADYRK2DYRK1BDYRK3CDK5
SCHEMBL4697131 0.82 FYN (0.82) FYN
SCHEMBL102955 0.81 DYRK1A (1.00) DYRK1ADYRK2DYRK1BDYRK3CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
US-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 US disclosed
US-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 US disclosed
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP disclosed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 US disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 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-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments MAP4K2, MAP3K1, MAP3K2 DYRK1A 461/4885DYRK2 336/4885DYRK1B 451/4885

“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.