SCHEMBL5268680

SCHEMBL5268680

COc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2ccc(O)cn2)cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.52
KCNH2 Q12809 3/20 0.43
CFTR P13569 1/20 0.42
CCKAR P32238 1/20 0.40
BRD4 O60885 1/20 0.39
PIK3CD O00329 3/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CB P42338 3/20 0.38
PIK3CG P48736 2/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3R5 Q8WYR1 1/20 0.38
PIK3R3 Q92569 1/20 0.38
PTGS2 P35354 3/20 0.38
MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL13627396 0.89 MGLL (0.68) MGLLKCNH2CFTRCCKARBRD4
SCHEMBL2919855 0.87 MGLL (0.50) MGLLKCNH2CFTRCCKARPIK3CD
SCHEMBL5271456 0.86 MGLL (0.45) MGLLKCNH2CFTRCCKARBRD4
SCHEMBL5270160 0.86 KCNH2 (0.46) MGLLKCNH2CFTRCCKARBRD4
SCHEMBL5269466 0.85 MGLL (0.49) MGLLCCKAR
SCHEMBL5266892 0.85 MGLL (0.41) MGLLKCNH2CFTRCCKARBRD4
SCHEMBL2911608 0.85 MGLL (0.46) MGLLKCNH2CFTRCCKARBRD4
SCHEMBL2919465 0.85 MGLL (0.46) MGLLKCNH2CFTRCCKARBRD4
SCHEMBL2914801 0.85 MGLL (0.48) MGLLKCNH2CFTRCCKARBRD4
SCHEMBL2921251 0.84 MGLL (0.45) MGLLKCNH2CFTRCCKARPIK3CD

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.