SCHEMBL5266594

SCHEMBL5266594

COc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(NC(=O)OC(C)(C)C)nc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MGLL Q99685 1/20 0.45
PIK3CD O00329 1/20 0.41
PIK3R2 O00459 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PIK3R5 Q8WYR1 1/20 0.41
PIK3R3 Q92569 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.40
BCL2 P10415 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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 0.89 PTGS2 (0.43) PTGS2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5267396 0.86 RPA1 (0.44) MEN1KMT2ASMN1; SMN2BCL2
SCHEMBL5268106 0.83 MEN1 (0.56) PTGS2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5269303 0.83 PTGS2 (0.56) PTGS2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5269108 0.82 CA9 (0.43) MGLLBCL2
SCHEMBL5526472 0.81 GPR119 (0.38) PIK3CDBCL2GPR119
SCHEMBL2920781 0.81 PTGS2 (0.64) PTGS2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5265523 0.81 CFTR (0.39) PTGS2MGLLPIK3CDPIK3R2PIK3CA
SCHEMBL2919473 0.81 PTGS2 (0.62) PTGS2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5268263 0.80 MGLL (0.40) PTGS2MGLLPIK3CDPIK3R2PIK3CA

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 PTGS2 4/4885MEN1 3587/4885KMT2A 3446/4885

“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.