SCHEMBL2915533

SCHEMBL2915533

COc1ccc(-n2nc(C(=O)N3CCN(C4CC4)CC3)cc2-c2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.52
PTGS2 P35354 3/20 0.47
PTGS1 P23219 1/20 0.47
EPHX2 P34913 1/20 0.47
CFTR P13569 1/20 0.47
RPA1 P27694 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
CCKAR P32238 1/20 0.45
MALT1 Q9UDY8 1/20 0.44

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
SCHEMBL2916882 0.96 MGLL (0.51) MGLLPTGS2PTGS1EPHX2CFTR
SCHEMBL2915792 0.89 MGLL (0.53) MGLLPTGS2PTGS1EPHX2RPA1
SCHEMBL2917284 0.89 MGLL (0.63) MGLLPTGS2PTGS1EPHX2RPA1
SCHEMBL2915118 0.88 CFTR (0.47) MGLLCFTRHRH3CCKAR
SCHEMBL2915589 0.88 MGLL (0.63) MGLLPTGS2CFTRRPA1CCKAR
SCHEMBL2916368 0.88 MALT1 (0.55) MGLLPTGS2PTGS1EPHX2RPA1
SCHEMBL2919514 0.86 MGLL (0.50) MGLLPTGS2PTGS1EPHX2CFTR
SCHEMBL2912571 0.86 MGLL (0.52) MGLLPTGS2PTGS1EPHX2RPA1
SCHEMBL2919473 0.86 PTGS2 (0.62) MGLLPTGS2
SCHEMBL2909483 0.86 MGLL (0.50) MGLLPTGS2PTGS1EPHX2CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 MGLL 2165/4885PTGS2 2/4885PTGS1 1/4885

“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.