SCHEMBL5265669

SCHEMBL5265669

COc1ccc(-n2nc(C(=O)N3CCCN3C(=O)OC(C)(C)C)cc2-c2ccccn2)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.39
GPR119 Q8TDV5 2/20 0.37
USP30 Q70CQ3 1/20 0.37
GRM5 P41594 2/20 0.36
GRM1 Q13255 1/20 0.36
POLB P06746 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
MMP13 P45452 1/20 0.34
SLC16A3 O15427 2/20 0.33
SLC16A1 P53985 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNB3 P54284 1/20 0.33
CACNA2D1 P54289 1/20 0.33

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
SCHEMBL2919124 0.89 CFTR (0.48) CFTRGPR119USP30GRM5GRM1
SCHEMBL5269112 0.87 CFTR (0.38) CFTRGPR119USP30POLBABL1
SCHEMBL5270200 0.87 ABL1 (0.35) CFTRABL1BCRSLC16A3SLC16A1
SCHEMBL2916868 0.85 ABL1 (0.35) CFTRABL1BCRSLC16A3SLC16A1
SCHEMBL2915785 0.83 ADORA2A (0.42) CFTRPOLBABL1BCR
SCHEMBL2918205 0.82 CYP2C9 (0.41) CFTRPOLBABL1BCR
SCHEMBL5273899 0.80 SYK (0.35) CFTRABL1BCRSLC16A3SLC16A1
SCHEMBL2919454 0.79 MGLL (0.46) CFTRABL1BCR
SCHEMBL2921476 0.79 CFTR (0.45) CFTRABL1BCR
SCHEMBL5265554 0.79 SYK (0.38) CFTRABL1BCRSLC16A3SLC16A1

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 CFTR 2625/4885GPR119 2151/4885USP30 3366/4885

“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.