SCHEMBL5239797

SCHEMBL5239797

Cc1c(CO)c2cnnc(OCc3ccc(F)cc3)c2n1CC1CC1C

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2D6 P10635 1/20 0.79
CYP2C9 P11712 1/20 0.79
CYP2C19 P33261 1/20 0.79
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
CNR1 P21554 6/20 0.32
CNR2 P34972 6/20 0.32
ABHD6 Q9BV23 1/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
TRPC6 Q9Y210 1/20 0.31
ALKBH1 Q13686 1/20 0.31
KIT P10721 1/20 0.30
S1PR5 Q9H228 1/20 0.30
ABHD12 Q8N2K0 1/20 0.30

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
SCHEMBL5241120 1.00 CYP1A2 (0.79) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4591003 1.00 CYP1A2 (0.79) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4591459 0.90 CYP1A2 (0.64) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5240518 0.88 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6804867 0.88 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5240067 0.88 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5236744 0.88 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2688495 0.88 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29405145 0.88 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5237849 0.88 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 CYP1A2 1171/4885CYP3A4 1480/4885CYP2D6 234/4885

“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.