SCHEMBL3865838

SCHEMBL3865838

CC(Oc1ccc2ncc(-c3ccc(OCC4CC4)cc3)n2n1)C1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
MKNK1 Q9BUB5 7/20 0.39
IKBKB O14920 6/20 0.38
FYN P06241 2/20 0.36
DYRK3 O43781 2/20 0.36
DYRK1A Q13627 2/20 0.36
DYRK2 Q92630 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CHUK O15111 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL3868645 0.87 MKNK1 (0.42) PIM1MKNK1IKBKBFYNDYRK3
SCHEMBL3872000 0.86 FYN (0.43) MKNK1IKBKBFYNDYRK3DYRK1A
SCHEMBL3869120 0.86 MKNK1 (0.42) PIM1MKNK1IKBKBDYRK3DYRK1A
SCHEMBL3865962 0.86 MKNK1 (0.47) PIM1MKNK1IKBKBFYNDYRK3
SCHEMBL3864200 0.86 PIM1 (0.46) PIM1DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL3868140 0.85 MKNK1 (0.41) PIM1MKNK1IKBKBFYNDYRK3
SCHEMBL4053469 0.83 MKNK1 (0.39) MKNK1IKBKBFYNDYRK3DYRK1A
SCHEMBL3871648 0.83 IKBKB (0.40) MKNK1IKBKBFYNDYRK3DYRK1A
SCHEMBL3866139 0.82 PIM1 (0.50) PIM1MKNK1DYRK3DYRK1ADYRK2
SCHEMBL3871531 0.81 MKNK1 (0.42) PIM1MKNK1IKBKBDYRK3DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044071-A1 OOXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-08 EP claimed
WO-2007147646-A1 OXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed
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 712/4885MKNK1 299/4885IKBKB 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.