SCHEMBL2917637

SCHEMBL2917637

COc1ccc(-n2nc(CN3C(=O)CCC3=O)cc2-c2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGS2 P35354 9/20 0.44
PTGS1 P23219 4/20 0.44
RPA1 P27694 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SLC16A3 O15427 2/20 0.39
SLC16A1 P53985 2/20 0.39
ALOX5 P09917 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CCKAR P32238 2/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
MCTS1 Q9ULC4 1/20 0.37
RIOK2 Q9BVS4 1/20 0.37

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
SCHEMBL2920938 0.86 MEN1 (0.43) MEN1KMT2APTGS2PTGS1RPA1
SCHEMBL2911589 0.82 MEN1 (0.43) MEN1KMT2APTGS2PTGS1RPA1
SCHEMBL4477596 0.81 PTGS2 (0.57) MEN1KMT2APTGS2PTGS1RPA1
SCHEMBL2915550 0.78 PTGS2 (0.57) MEN1KMT2APTGS2PTGS1SLC16A3
SCHEMBL13637334 0.74 MEN1 (0.52) MEN1KMT2APTGS2PTGS1RPA1
SCHEMBL2910437 0.74 RPA1 (0.70) MEN1KMT2ARPA1
SCHEMBL4476914 0.74 PTGS2 (0.57) MEN1KMT2APTGS2PTGS1SLC16A3
SCHEMBL4476916 0.73 PTGS2 (0.46) MEN1KMT2APTGS2PTGS1ALOX5
SCHEMBL5529650 0.73 RPA1 (0.57) MEN1KMT2ARPA1CA9
SCHEMBL6411227 0.72 PTGS2 (0.52) MEN1KMT2APTGS2PTGS1CA1

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 MEN1 4127/4885KMT2A 4370/4885PTGS2 2/4885

“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.