SCHEMBL2916210

SCHEMBL2916210

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.52
CA9 Q16790 3/20 0.51
FAAH O00519 3/20 0.51
PTGS2 P35354 5/20 0.47
DYRK3 O43781 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK2 Q92630 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
PTGS1 P23219 2/20 0.46
ALOX5 P09917 1/20 0.43
CYP2C9 P11712 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
SCHEMBL2913443 0.89 CHRNA7 (0.64) CHRNA7CA9FAAHPTGS2PTGS1
SCHEMBL2915848 0.89 CA9 (0.63) CHRNA7CA9FAAHPTGS2PTGS1
SCHEMBL2921056 0.88 CA9 (0.54) CHRNA7CA9FAAHPTGS2
SCHEMBL14504359 0.88 CA9 (0.54) CHRNA7CA9FAAHPTGS2
SCHEMBL2917961 0.88 CA9 (0.54) CHRNA7CA9FAAHPTGS2
SCHEMBL2916480 0.87 CHRNA7 (0.64) CHRNA7CA9FAAH
SCHEMBL2918939 0.87 CA9 (0.63) CHRNA7CA9FAAH
SCHEMBL2915972 0.87 RPA1 (0.53) CHRNA7DYRK3CCNA2CDK2DYRK1A
SCHEMBL5528274 0.85 CA9 (0.52) CHRNA7CA9FAAHPTGS2
SCHEMBL5265828 0.85 CA9 (0.51) CHRNA7CA9FAAH

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 6 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-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 CHRNA7 4696/4885CA9 2908/4885FAAH 1345/4885

“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.