SCHEMBL3870153

SCHEMBL3870153

CC(Oc1ccc2ncc(-c3cccc4[nH]ccc34)n2n1)C1CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.42
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
DYRK3 O43781 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CHEK1 O14757 1/20 0.38
CDK7 P50613 7/20 0.37
CCNH P51946 7/20 0.37
MNAT1 P51948 7/20 0.37
IDH2 P48735 1/20 0.36
PIM1 P11309 2/20 0.35
CCNK O75909 2/20 0.34
CDK12 Q9NYV4 2/20 0.34

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
SCHEMBL3867826 0.85 MKNK1 (0.45) MKNK1
SCHEMBL3865528 0.84 MKNK1 (0.45) MKNK1CCNT1CDK9CDK7CCNH
SCHEMBL3869840 0.82 MKNK1 (0.43) MKNK1DYRK3DYRK1ADYRK2
SCHEMBL3865738 0.82 MKNK1 (0.42) MKNK1
SCHEMBL3866437 0.82 MKNK1 (0.43) MKNK1CCNT1CDK9DYRK3CDK5
SCHEMBL3865962 0.82 MKNK1 (0.47) MKNK1CCNT1CDK9DYRK3CDK5
SCHEMBL3870154 0.80 MKNK1 (0.47) MKNK1CCNT1CDK9DYRK3CDK5
SCHEMBL3866029 0.80 MKNK1 (0.42) MKNK1CCNT1CDK9DYRK3CDK5
SCHEMBL3866313 0.80 DYRK3 (0.45) MKNK1CCNT1CDK9DYRK3CDK5
SCHEMBL3869751 0.80 PIM1 (0.54) CCNT1CDK9DYRK3CDK5DYRK1A

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 MKNK1 299/4885CCNT1 184/4885CDK9 158/4885

“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.