SCHEMBL2911969

SCHEMBL2911969

COc1ccc(-c2cc(C(=O)N3CCN(C)CC3)nn2-c2ccc(OC)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.57
PTGS2 P35354 6/20 0.55
RPA1 P27694 3/20 0.49
KCNH2 Q12809 1/20 0.48
MALT1 Q9UDY8 2/20 0.48
CCKAR P32238 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CFTR P13569 1/20 0.46

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
SCHEMBL13627396 0.92 MGLL (0.68) MGLLPTGS2KCNH2MALT1CCKAR
SCHEMBL2917069 0.92 MGLL (0.57) MGLLPTGS2KCNH2MALT1CCKAR
SCHEMBL2920388 0.91 MALT1 (0.61) MGLLPTGS2RPA1KCNH2MALT1
SCHEMBL13637494 0.91 MGLL (0.56) MGLLPTGS2KCNH2MALT1CCKAR
SCHEMBL2911623 0.91 MGLL (0.56) MGLLPTGS2KCNH2MALT1MEN1
SCHEMBL2917284 0.91 MGLL (0.63) MGLLPTGS2RPA1KCNH2MALT1
SCHEMBL2914856 0.90 MGLL (0.54) MGLLPTGS2KCNH2MALT1MEN1
SCHEMBL2921396 0.90 CCKAR (0.59) MGLLPTGS2RPA1KCNH2CCKAR
SCHEMBL2910679 0.89 MGLL (0.53) MGLLPTGS2KCNH2MALT1MEN1
SCHEMBL2917646 0.89 MGLL (0.58) MGLLPTGS2RPA1

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 2/4885RPA1 4200/4885

“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.