SCHEMBL2942563

SCHEMBL2942563

CC(C)C(CO)Nc1ccc2ncc(-c3cccc(N(C)C)c3)n2n1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.74
DYRK1A Q13627 10/20 0.68
DYRK2 Q92630 10/20 0.68
DYRK1B Q9Y463 10/20 0.68
DYRK3 O43781 8/20 0.68
CDK5 Q00535 8/20 0.68
CDK5R1 Q15078 8/20 0.68
CCNT1 O60563 7/20 0.68
CDK9 P50750 7/20 0.68
CCNA2 P20248 6/20 0.68
CDK2 P24941 6/20 0.68

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
SCHEMBL2942560 1.00 FYN (0.74) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL2946453 0.86 FYN (0.79) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL102951 0.86 DYRK1A (0.76) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL2947491 0.85 FYN (0.77) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL20485745 0.85 FYN (1.00) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL2947495 0.85 FYN (0.77) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL20485748 0.85 FYN (1.00) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL2950265 0.83 DYRK1A (0.75) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL2950267 0.83 DYRK1A (0.75) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL16331965 0.83 FYN (0.73) FYNDYRK1ADYRK2DYRK1BDYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 421/4885DYRK1A 461/4885DYRK2 336/4885

“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.