SCHEMBL2951019

SCHEMBL2951019

c1cncc(-c2cnc3ccc(NCc4ccco4)nn23)c1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 14/20 0.80
PIK3CG P48736 1/20 0.62
DYRK3 O43781 3/20 0.54
CCNA2 P20248 3/20 0.54
CDK2 P24941 3/20 0.54
CDK5 Q00535 3/20 0.54
DYRK1A Q13627 3/20 0.54
CDK5R1 Q15078 3/20 0.54
DYRK2 Q92630 3/20 0.54
DYRK1B Q9Y463 3/20 0.54
CCNT1 O60563 2/20 0.54
CDK9 P50750 2/20 0.54
MKNK1 Q9BUB5 1/20 0.54
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL4691713 0.89 FYN (0.79) FYNPIK3CGMKNK1ALDH1A1HPGD
SCHEMBL2946665 0.89 FYN (0.83) FYNPIK3CGMKNK1
SCHEMBL13234408 0.89 FYN (1.00) FYNPIK3CGMKNK1ALDH1A1HPGD
SCHEMBL1054837 0.84 FYN (0.83) FYNPIK3CGMKNK1ALDH1A1HPGD
SCHEMBL2941576 0.84 FYN (0.78) FYNPIK3CGMKNK1
SCHEMBL2944474 0.83 FYN (0.81) FYNPIK3CGMKNK1
SCHEMBL1053480 0.83 FYN (1.00) FYNPIK3CGMKNK1
SCHEMBL2951386 0.82 FYN (0.80) FYNPIK3CG
SCHEMBL2944482 0.82 FYN (1.00) FYNPIK3CG
SCHEMBL2948460 0.82 FYN (0.82) FYNPIK3CG

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 421/4885PIK3CG 138/4885DYRK3 539/4885

“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.