SCHEMBL2951022

SCHEMBL2951022

CN(c1ccc2ncc(-c3cccnc3)n2n1)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 3/20 0.53
CCNA2 P20248 3/20 0.53
CDK2 P24941 3/20 0.53
CDK5 Q00535 3/20 0.53
DYRK1A Q13627 3/20 0.53
CDK5R1 Q15078 3/20 0.53
DYRK2 Q92630 3/20 0.53
DYRK1B Q9Y463 3/20 0.53
FYN P06241 15/20 0.52
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45

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
SCHEMBL4691714 0.89 FYN (0.39) DYRK3CCNA2CDK2CDK5DYRK1A
SCHEMBL2946667 0.89 FYN (0.50) FYN
SCHEMBL20486254 0.83 NTRK1 (0.41) FYN
SCHEMBL2948461 0.82 FYN (0.53) FYN
SCHEMBL2951390 0.82 FYN (0.54) DYRK3CCNA2CDK2CDK5DYRK1A
SCHEMBL1053479 0.81 FYN (0.56) FYN
SCHEMBL2948418 0.81 FYN (0.57) DYRK3CCNA2CDK2DYRK1ADYRK2
SCHEMBL18613617 0.81 FYN (0.58) FYN
SCHEMBL2947614 0.81 FYN (0.54) DYRK3CCNA2CDK2CDK5DYRK1A
SCHEMBL18613580 0.80 FYN (0.61) FYN

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
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
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

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 DYRK3 539/4885CCNA2 650/4885CDK2 26/4885

“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.