SCHEMBL3865871

SCHEMBL3865871

CCN(CC)CCCC(C)Oc1cc(-c2cc3ccccc3o2)c2nccn2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 14/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
F2RL3 Q96RI0 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL3869341 0.87 CXCR1 (0.42) MKNK1CXCR1CXCR2F2RL3SMN1; SMN2
SCHEMBL3865875 0.77 MKNK1 (0.46) MKNK1MKNK2F2RL3
SCHEMBL3865868 0.75 MKNK1 (0.71) MKNK1MKNK2
SCHEMBL3867949 0.71 FAAH (0.37) MKNK1F2RL3SMN1; SMN2L3MBTL1
SCHEMBL3865636 0.70 LTA4H (0.43)
SCHEMBL3868175 0.70 RAB9A (0.42) MKNK1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL2948003 0.69 MKNK1 (0.55) MKNK1F2RL3
SCHEMBL3871956 0.68 MKNK1 (0.40) MKNK1MAPK1
SCHEMBL3868276 0.68 CHRNB2 (0.49) MKNK1
SCHEMBL3869345 0.66 F2RL3 (0.49) MKNK1F2RL3

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 MKNK1 299/4885MKNK2 203/4885CXCR1 1639/4885
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CDK2, CDK1, MAP4K2 MKNK1 299/4885MKNK2 203/4885CXCR1 1639/4885

“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.