SCHEMBL2949007

SCHEMBL2949007

CN(C)CCNc1ccc2ncc(-c3ccsc3)n2n1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.77
DYRK3 O43781 1/20 0.58
CCNT1 O60563 1/20 0.58
CCNA2 P20248 1/20 0.58
CDK2 P24941 1/20 0.58
CDK9 P50750 1/20 0.58
CDK5 Q00535 1/20 0.58
DYRK1A Q13627 1/20 0.58
CDK5R1 Q15078 1/20 0.58
DYRK2 Q92630 1/20 0.58
DYRK1B Q9Y463 1/20 0.58
MKNK1 Q9BUB5 5/20 0.56
CAMK2D Q13557 1/20 0.55
IKBKB O14920 2/20 0.52
AAK1 Q2M2I8 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
SCHEMBL12761390 0.87 FYN (1.00) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL3036460 0.86 FYN (0.76) FYNMKNK1IKBKB
SCHEMBL2951859 0.84 FYN (0.74) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL18613314 0.84 FYN (1.00) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL2950230 0.83 FYN (0.76) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL2947844 0.83 IKBKB (0.58) FYNMKNK1IKBKBAAK1
SCHEMBL2948860 0.82 FYN (0.71) FYNMKNK1IKBKBAAK1
SCHEMBL16010255 0.81 FYN (0.69) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL16009355 0.80 FYN (1.00) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL2947745 0.80 FYN (0.70) FYNDYRK3CCNT1CCNA2CDK2

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 FYN 421/4885DYRK3 539/4885CCNT1 773/4885

“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.