SCHEMBL2912277

SCHEMBL2912277

COc1ccc(-n2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2-c2ccccn2)cn1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.47
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
GPR119 Q8TDV5 4/20 0.42
MGLL Q99685 2/20 0.41
USP30 Q70CQ3 1/20 0.41
CCKAR P32238 1/20 0.40
KDR P35968 1/20 0.39

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
SCHEMBL2919855 0.89 MGLL (0.50) CFTRMGLLCCKAR
SCHEMBL2919136 0.89 NTRK1 (0.45) CFTRMGLLCCKAR
SCHEMBL5269112 0.89 CFTR (0.38) CFTRPOLBTDP1GPR119USP30
SCHEMBL2915275 0.88 MGLL (0.49) CFTRGPR119MGLLCCKAR
SCHEMBL13637539 0.88 MALT1 (0.45) CFTRPOLBMGLLCCKAR
SCHEMBL13637531 0.88 CFTR (0.46) CFTRPOLBTDP1GPR119
SCHEMBL2910146 0.87 CFTR (0.44) CFTRMGLLCCKAR
SCHEMBL2916423 0.87 CFTR (0.47) CFTRMGLLCCKAR
SCHEMBL2919124 0.87 CFTR (0.48) CFTRPOLBGPR119MGLLUSP30
SCHEMBL2919221 0.87 MGLL (0.42) CFTRMGLLCCKAR

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 CFTR 1992/4885POLB 3329/4885TDP1 2100/4885

“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.