SCHEMBL2921056

SCHEMBL2921056

CCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.54
CHRNA7 P36544 3/20 0.52
RPA1 P27694 3/20 0.52
FAAH O00519 3/20 0.51
BCL2 P10415 2/20 0.49
MDM2 Q00987 2/20 0.49
MCL1 Q07820 2/20 0.49
TP53 P04637 1/20 0.49
MALT1 Q9UDY8 1/20 0.49
IDO1 P14902 1/20 0.47
PTGS2 P35354 1/20 0.47
PDE4D Q08499 1/20 0.47

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
SCHEMBL2915848 0.93 CA9 (0.63) CA9CHRNA7RPA1FAAHBCL2
SCHEMBL14504894 0.92 CA9 (0.51) CA9CHRNA7RPA1FAAHBCL2
SCHEMBL2917961 0.92 CA9 (0.54) CA9CHRNA7RPA1FAAHBCL2
SCHEMBL14504359 0.92 CA9 (0.54) CA9CHRNA7RPA1FAAHBCL2
SCHEMBL14504887 0.91 MDM2 (0.53) CA9CHRNA7RPA1FAAHBCL2
SCHEMBL2916480 0.91 CHRNA7 (0.64) CA9CHRNA7RPA1FAAHMALT1
SCHEMBL2913443 0.91 CHRNA7 (0.64) CA9CHRNA7FAAHBCL2MDM2
SCHEMBL2918939 0.91 CA9 (0.63) CA9CHRNA7RPA1FAAHBCL2
SCHEMBL9054421 0.89 CA9 (0.65) CA9CHRNA7RPA1FAAHBCL2
SCHEMBL2918178 0.89 FAAH (0.58) CA9CHRNA7RPA1FAAHPTGS2

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 CA9 2908/4885CHRNA7 4696/4885RPA1 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.