SCHEMBL4516170

SCHEMBL4516170

Cc1n[nH]c2ccc(Br)cc12.Cc1n[nH]c2ccc(C=O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.49
JAK2 O60674 3/20 0.49
DYRK1A Q13627 3/20 0.44
FLT3 P36888 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
CSF1R P07333 2/20 0.44
CLK2 P49760 2/20 0.44
MAP4K2 Q12851 2/20 0.44
NTRK3 Q16288 2/20 0.44
AURKB Q96GD4 2/20 0.44
DCLK1 O15075 1/20 0.44
CHEK2 O96017 1/20 0.44
FER P16591 1/20 0.44
CDK2 P24941 1/20 0.44
MARK3 P27448 1/20 0.44
FLT4 P35916 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1D P48730 1/20 0.44

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
SCHEMBL181661 0.91 KIF11 (0.46) JAK2TTKKIF11CYP2A6HPGD
SCHEMBL29955660 0.91 KIF11 (0.46) JAK2TTKKIF11CYP2A6HPGD
SCHEMBL182633 0.86 JAK2 (0.63) PDPK1JAK2DYRK1AFLT3CLK4
Hydrochloric Acid SCHEMBL730582 0.84 JAK2 (0.61) PDPK1JAK2DYRK1AFLT3CLK4
Hydrazine SCHEMBL5316054 0.82 JAK2 (0.65) PDPK1JAK2DYRK1AFLT3CLK4
Tert-Butyl Formate SCHEMBL27702956 0.80 PDPK1 (0.46) PDPK1JAK2DYRK1AFLT3CLK4
SCHEMBL22513720 0.79 JAK2 (0.50) PDPK1JAK2DYRK1ACLK4PRKD3
SCHEMBL29953542 0.78 KIF11 (0.46) PDPK1JAK2DYRK1AFLT3CLK4
SCHEMBL15652140 0.78 TTK (0.52) PDPK1JAK2CDK2TTKKIF11
SCHEMBL182436 0.78 KIF11 (0.46) PDPK1JAK2DYRK1AFLT3CLK4

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-8822468-B2 3-Methyl-imidazo[1,2-b]pyridazine derivatives NOVARTIS AG (CH) 2014-09-02 US disclosed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 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-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES MET, ERBB2, ALK PDPK1 684/4885JAK2 13/4885DYRK1A 560/4885

“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.