SCHEMBL3865724

SCHEMBL3865724

CSc1ccc(-c2cnc3ccc(OCCCN4CCN(C)CC4)nn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 2/20 0.42
DYRK1A Q13627 2/20 0.42
DYRK2 Q92630 2/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MKNK1 Q9BUB5 5/20 0.41
SIGMAR1 Q99720 2/20 0.40
PIM1 P11309 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
FLT3 P36888 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
CXCR1 P25024 1/20 0.37

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
SCHEMBL3870038 0.92 HRH3 (0.44) DYRK3DYRK1ADYRK2CCNA2CDK2
SCHEMBL3864436 0.88 DYRK3 (0.44) DYRK3DYRK1ADYRK2CCNA2CDK2
SCHEMBL3866251 0.88 DYRK3 (0.48) DYRK3DYRK1ADYRK2CCNA2CDK2
SCHEMBL3865869 0.87 FYN (0.49) DYRK3DYRK1ADYRK2CCNA2CDK2
SCHEMBL3866180 0.87 MKNK1 (0.49) DYRK3DYRK1ADYRK2CCNA2CDK2
SCHEMBL3867571 0.87 NPC1 (0.51) PIM1NPC1RAB9ACXCR1
SCHEMBL3874388 0.83 FYN (0.51) DYRK3DYRK1ADYRK2CCNA2CDK2
SCHEMBL3864456 0.83 MKNK1 (0.40) DYRK3DYRK1ADYRK2CCNA2CDK2
SCHEMBL3865700 0.83 PIM1 (0.56) DYRK3DYRK1ADYRK2CCNA2CDK2
SCHEMBL3870283 0.83 MKNK1 (0.42) DYRK3DYRK1ADYRK2CCNA2CDK2

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 11 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 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 claimed
US-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-09 US claimed
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-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.