SCHEMBL4477596

SCHEMBL4477596

COc1ccc(-n2nc(CO)cc2-c2ccccc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.57
CA1 P00915 10/20 0.54
CA2 P00918 10/20 0.54
CA9 Q16790 10/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGS1 P23219 3/20 0.47
RPA1 P27694 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
CCKAR P32238 1/20 0.42

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
SCHEMBL4476914 0.89 PTGS2 (0.57) PTGS2CA1CA2CA9MEN1
SCHEMBL6411227 0.86 PTGS2 (0.52) PTGS2CA1CA2CA9MEN1
SCHEMBL2941675 0.83 CA1 (0.51) PTGS2CA1CA2CA9PTGS1
SCHEMBL2915550 0.82 PTGS2 (0.57) PTGS2CA1CA2CA9MEN1
SCHEMBL2917637 0.81 MEN1 (0.46) PTGS2CA1CA2CA9MEN1
SCHEMBL2910437 0.81 RPA1 (0.70) MEN1KMT2ARPA1
SCHEMBL5529650 0.79 RPA1 (0.57) CA9MEN1KMT2ARPA1
SCHEMBL13239860 0.78 CA1 (0.70) PTGS2CA1CA2CA9PTGS1
SCHEMBL13637334 0.78 MEN1 (0.52) PTGS2MEN1KMT2APTGS1RPA1
SCHEMBL2920938 0.78 MEN1 (0.43) PTGS2MEN1KMT2APTGS1RPA1

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
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 PTGS2 2/4885CA1 1833/4885CA2 294/4885

“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.