SCHEMBL5269112

SCHEMBL5269112

COc1ccc(-n2nc(C(=O)N3CCCN3C(=O)OC(C)(C)C)cc2-c2ccccn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.38
USP30 Q70CQ3 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3R5 Q8WYR1 1/20 0.34
PIK3R3 Q92569 1/20 0.34
MMP13 P45452 1/20 0.34
NTRK1 P04629 1/20 0.34
LMNA P02545 1/20 0.33
THRB P10828 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
SCHEMBL2912277 0.89 CFTR (0.47) CFTRUSP30GPR119TDP1POLB
SCHEMBL5265669 0.87 CFTR (0.39) CFTRUSP30GPR119POLBABL1
SCHEMBL2919524 0.87 PIK3CD (0.36) CFTRABL1BCRPIK3CDPIK3R2
SCHEMBL2919962 0.86 CFTR (0.35) CFTRABL1BCRPIK3CDPIK3R2
SCHEMBL5267011 0.85 PIK3CD (0.34) CFTRABL1BCRPIK3CDPIK3R2
SCHEMBL5270461 0.84 PTGS2 (0.35) CFTRABL1BCRPIK3CDPIK3R2
SCHEMBL5270775 0.83 GPR119 (0.39) CFTRGPR119PIK3CDPIK3CAMMP13
SCHEMBL2912043 0.83 PIK3CD (0.34) CFTRABL1BCRPIK3CDPIK3R2
SCHEMBL13637539 0.82 MALT1 (0.45) CFTRPOLBABL1BCRPIK3CD
SCHEMBL2920771 0.80 PIK3CD (0.36) CFTRABL1BCRPIK3CDPIK3R2

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 2625/4885USP30 3366/4885GPR119 2151/4885

“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.