SCHEMBL2912283

SCHEMBL2912283

COc1ccc(-n2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2-c2ccc(F)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
PTGS2 P35354 5/20 0.47
GPR119 Q8TDV5 2/20 0.47
MALT1 Q9UDY8 1/20 0.45
MGLL Q99685 3/20 0.43
POLB P06746 1/20 0.43
KDM1A O60341 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNB3 P54284 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNG7 P62955 1/20 0.42
CACNA1B Q00975 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
SCHEMBL2915275 0.91 MGLL (0.49) CFTRPTGS2GPR119MALT1MGLL
SCHEMBL2911623 0.89 MGLL (0.56) CFTRPTGS2MALT1MGLLKDM1A
SCHEMBL2915459 0.86 PTGS2 (0.48) PTGS2MALT1MGLLKDM1AMEN1
SCHEMBL2920781 0.86 PTGS2 (0.64) PTGS2MALT1MGLLMEN1MAPT
SCHEMBL13212922 0.86 PTGS2 (0.49) CFTRPTGS2MALT1MGLLKDM1A
Hydrochloric Acid SCHEMBL2912049 0.86 PTGS2 (0.47) PTGS2MALT1MGLLKDM1AMEN1
SCHEMBL13637534 0.85 KDM1A (0.51) PTGS2MALT1MGLLKDM1AMEN1
Hydrochloric Acid SCHEMBL2919880 0.85 PTGS2 (0.49) CFTRPTGS2MALT1MGLLKDM1A
SCHEMBL2921273 0.84 MGLL (0.51) PTGS2MALT1MGLLKDM1AMEN1
SCHEMBL2912277 0.83 CFTR (0.47) CFTRGPR119MGLLPOLB

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 CFTR 1992/4885PTGS2 2/4885GPR119 1490/4885

“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.