SCHEMBL5239207

SCHEMBL5239207

CC(=O)OCc1c(C)n(CC2CC2C)c2c(OCc3ccc(F)cc3F)nncc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAOB P27338 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR6 P50406 1/20 0.34
ALKBH1 Q13686 1/20 0.34
PTGER1 P34995 4/20 0.33
PREP P48147 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
MAPK14 Q16539 6/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK11 Q15759 2/20 0.32

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
SCHEMBL6917471 0.90 CYP1A2 (0.54) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5234831 0.89 CYP1A2 (0.61) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5240067 0.88 CYP1A2 (0.73) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6804867 0.88 CYP1A2 (0.73) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7006470 0.85 CYP1A2 (0.76) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7002504 0.85 CYP1A2 (0.76) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6440142 0.85 CYP1A2 (0.76) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4591003 0.77 CYP1A2 (0.79) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5239797 0.77 CYP1A2 (0.79) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5241120 0.77 CYP1A2 (0.79) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254907-B1 PYRROLOPYRIDAZINE COMPOUND SANKYO CO (JP) 2007-05-09 EP claimed
US-6734181-B2 GASTRIC ACID SECRETORY INHIBITION ACTIVITY, GASTRIC MUCOUS MEMBRANE PROTECTION ACTIVITY; TREATMENT OF ULCERS AND HELICOBACTER PYLORI INFECIONS SANKYO COMPANY, LIMITED (JP) 2004-05-11 US claimed
US-20040014762-A1 Pyrrolopyridazine compounds SANKYO COMPANY, LIMITED (JP) 2004-01-22 US claimed
EP-1254907-A1 PYRROLOPYRIDAZINE COMPOUND Sankyo Company, Limited (JP) 2002-11-06 EP claimed
EP-1254907-B1 PYRROLOPYRIDAZINE COMPOUND SANKYO CO (JP) 2007-05-09 EP disclosed
US-6734181-B2 GASTRIC ACID SECRETORY INHIBITION ACTIVITY, GASTRIC MUCOUS MEMBRANE PROTECTION ACTIVITY; TREATMENT OF ULCERS AND HELICOBACTER PYLORI INFECIONS SANKYO COMPANY, LIMITED (JP) 2004-05-11 US disclosed
US-20040014762-A1 Pyrrolopyridazine compounds SANKYO COMPANY, LIMITED (JP) 2004-01-22 US disclosed
EP-1254907-A1 PYRROLOPYRIDAZINE COMPOUND Sankyo Company, Limited (JP) 2002-11-06 EP 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-20040014762-A1 Pyrrolopyridazine compounds HRH2, ADH1C, GIPR CYP2C9 821/4885CYP1A2 1171/4885CYP3A4 1480/4885

“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.