SCHEMBL13867698

SCHEMBL13867698

Clc1cccc(-c2cnc3ccc(OCCN4CCCCC4)nn23)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 4/20 0.58
DYRK1A Q13627 4/20 0.58
DYRK2 Q92630 4/20 0.58
DYRK1B Q9Y463 4/20 0.58
CCNT1 O60563 3/20 0.58
CDK9 P50750 3/20 0.58
CCNA2 P20248 1/20 0.56
CDK2 P24941 1/20 0.56
CDK5 Q00535 1/20 0.56
CDK5R1 Q15078 1/20 0.56
PIM1 P11309 12/20 0.52
HRH3 Q9Y5N1 1/20 0.52
FYN P06241 2/20 0.50
AVPR1B P47901 1/20 0.49
KCNH2 Q12809 1/20 0.47

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
SCHEMBL3869332 0.95 DYRK3 (0.57) DYRK3DYRK1ADYRK2DYRK1BCCNT1
SCHEMBL13867552 0.91 DYRK3 (0.60) DYRK3DYRK1ADYRK2DYRK1BCCNT1
SCHEMBL3866954 0.86 DYRK3 (0.59) DYRK3DYRK1ADYRK2DYRK1BCCNT1
SCHEMBL3868139 0.85 DYRK1A (0.56) DYRK3DYRK1ADYRK2DYRK1BCCNT1
SCHEMBL13867592 0.84 DYRK3 (0.53) DYRK3DYRK1ADYRK2DYRK1BCCNT1
SCHEMBL3866897 0.83 PIM1 (0.51) PIM1HRH3KCNH2
SCHEMBL14372188 0.83 FYN (0.54) PIM1FYN
SCHEMBL13867686 0.83 PIM1 (0.72) DYRK1APIM1KCNH2
SCHEMBL3870271 0.82 KDM4E (0.52) DYRK3DYRK1ADYRK2DYRK1BCCNT1
SCHEMBL3869280 0.82 PIM1 (0.52) DYRK3DYRK1ADYRK2DYRK1BCCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 US disclosed
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 US disclosed
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-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
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 (2 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 DYRK3 491/4885DYRK1A 445/4885DYRK2 278/4885
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CDK2, CDK1, MAP4K2 DYRK3 491/4885DYRK1A 445/4885DYRK2 278/4885

“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.