SCHEMBL5268263

SCHEMBL5268263

COc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2cnc(NC(=O)OC(C)(C)C)cn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
KCNH2 Q12809 3/20 0.38
CFTR P13569 3/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
PIK3CD O00329 4/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
PIK3CG P48736 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3R5 Q8WYR1 1/20 0.34
PIK3R3 Q92569 1/20 0.34
WNT3A P56704 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
RARG P13631 1/20 0.34
RXRA P19793 1/20 0.34
CCKAR P32238 1/20 0.34

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
SCHEMBL5267493 0.91 PTGS2 (0.43) MGLLIRAK4PIK3CDPIK3CAPIK3CB
SCHEMBL5265523 0.91 CFTR (0.39) MGLLCFTRPIK3CDPIK3CAPIK3CB
SCHEMBL5268146 0.91 HPGD (0.39) MGLLCFTRGSK3BDYRK1APIK3CD
SCHEMBL5266607 0.90 CFTR (0.39) MGLLCFTRPIK3CDGPR119SCN9A
SCHEMBL5267961 0.87 RPA1 (0.39) GSK3BDYRK1A
SCHEMBL5266652 0.83 CA9 (0.38) MGLLTP53
SCHEMBL5270160 0.82 KCNH2 (0.46) MGLLKCNH2CFTRPIK3CDPIK3CA
SCHEMBL5523473 0.82 FAAH (0.35) GSK3BDYRK1AIRAK4GPR119PDK2
SCHEMBL5526891 0.82 PTK2B (0.33) GSK3BDYRK1AGPR119
SCHEMBL5266594 0.80 PTGS2 (0.48) MGLLPIK3CDPIK3CAPIK3CBPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 MGLL 4176/4885KCNH2 2311/4885CFTR 2625/4885

“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.