SCHEMBL3869341

SCHEMBL3869341

CCN(CC)CCCOc1cc(-c2cc3ccccc3o2)c2nccn2n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
MKNK1 Q9BUB5 10/20 0.39
SIGMAR1 Q99720 1/20 0.38
PTPN1 P18031 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
XDH P47989 1/20 0.37
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3865871 0.87 MKNK1 (0.39) CXCR1CXCR2MKNK1F2RL3SMN1; SMN2
SCHEMBL3865636 0.80 LTA4H (0.43) XDH
SCHEMBL3868276 0.77 CHRNB2 (0.49) MKNK1
SCHEMBL3869345 0.76 F2RL3 (0.49) MKNK1F2RL3
SCHEMBL3868175 0.73 RAB9A (0.42) MKNK1SMN1; SMN2L3MBTL1
SCHEMBL3867949 0.73 FAAH (0.37) MKNK1F2RL3SMN1; SMN2L3MBTL1
SCHEMBL2948003 0.73 MKNK1 (0.55) MKNK1F2RL3
SCHEMBL3869340 0.72 MKNK1 (0.72) MKNK1
SCHEMBL3871956 0.70 MKNK1 (0.40) MKNK1
SCHEMBL11731943 0.70 BCHE (0.62) SIGMAR1PTPN1XDHATP4AATP4B

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 5 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

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 CXCR1 1639/4885CXCR2 2059/4885MKNK1 299/4885
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CDK2, CDK1, MAP4K2 CXCR1 1639/4885CXCR2 2059/4885MKNK1 299/4885

“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.