SCHEMBL3866252

SCHEMBL3866252

CN1CCCC(COc2ccc3ncc(-c4cccc(C(=O)O)c4)n3n2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.49
PIM2 Q9P1W9 1/20 0.48
DYRK3 O43781 3/20 0.47
DYRK1A Q13627 3/20 0.47
DYRK2 Q92630 3/20 0.47
DYRK1B Q9Y463 3/20 0.47
FYN P06241 13/20 0.45
CCNT1 O60563 2/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CDK9 P50750 2/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL3868363 0.93 PIM1 (0.57) PIM1PIM2FYN
SCHEMBL3866160 0.92 PIM1 (0.50) PIM1PIM2DYRK3DYRK1ADYRK2
SCHEMBL3870151 0.89 PIM1 (0.51) PIM1PIM2DYRK3DYRK1ADYRK2
SCHEMBL3865957 0.88 PIM1 (0.48) PIM1PIM2DYRK3DYRK1ADYRK2
SCHEMBL14372177 0.86 PIM1 (0.51) PIM1PIM2DYRK3DYRK1ADYRK2
SCHEMBL3869744 0.86 PIM1 (0.55) PIM1DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL3868534 0.86 PIM1 (0.53) PIM1PIM2DYRK3DYRK1ADYRK2
SCHEMBL3865480 0.85 FYN (0.53) PIM1FYN
SCHEMBL3866132 0.85 PIM1 (0.50) PIM1PIM2DYRK3DYRK1ADYRK2
SCHEMBL3865552 0.85 PIM1 (0.49) PIM1PIM2DYRK3DYRK1ADYRK2

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-8653076-B2 Oxo-substituted imidazo[1,2B]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-09 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-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals CDK2, CDK1, MAP4K2 PIM1 712/4885PIM2 562/4885DYRK3 491/4885

“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.