SCHEMBL2910679

SCHEMBL2910679

COc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.53
PTGS2 P35354 4/20 0.52
PTGS1 P23219 1/20 0.52
SCN9A Q15858 2/20 0.48
KDM1A O60341 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
KCNH2 Q12809 2/20 0.46
MALT1 Q9UDY8 1/20 0.45
PIK3CA P42336 1/20 0.45
PRKAA2 P54646 1/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
DYRK3 O43781 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK2 Q92630 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL2911623 0.90 MGLL (0.56) MGLLPTGS2KDM1AKCNH2MALT1
SCHEMBL2911969 0.89 MGLL (0.57) MGLLPTGS2KCNH2MALT1MAPT
SCHEMBL2917069 0.89 MGLL (0.57) MGLLPTGS2KDM1AKCNH2MALT1
SCHEMBL13627396 0.89 MGLL (0.68) MGLLPTGS2KCNH2MALT1MAPT
SCHEMBL2920388 0.88 MALT1 (0.61) MGLLPTGS2KCNH2MALT1MAPT
SCHEMBL13637494 0.88 MGLL (0.56) MGLLPTGS2KCNH2MALT1PIK3CA
SCHEMBL2917284 0.88 MGLL (0.63) MGLLPTGS2PTGS1KCNH2MALT1
SCHEMBL2914856 0.86 MGLL (0.54) MGLLPTGS2KDM1AKCNH2MALT1
SCHEMBL2915972 0.85 RPA1 (0.53) DYRK3CCNA2CDK2DYRK1ADYRK2
SCHEMBL5265747 0.84 MGLL (0.51) MGLLPTGS2KCNH2MALT1PIK3CA

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
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-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.