SCHEMBL2912233

SCHEMBL2912233

COc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccccn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.51
PIK3CD O00329 1/20 0.51
PIK3R2 O00459 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
PIK3R5 Q8WYR1 1/20 0.51
PIK3R3 Q92569 1/20 0.51
MGLL Q99685 2/20 0.49
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GABRA5 P31644 1/20 0.45
SMPD1 P17405 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2916162 0.96 PTGS2 (0.48) PTGS2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL13637539 0.91 MALT1 (0.45) PTGS2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL2919855 0.90 MGLL (0.50) PTGS2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL2910146 0.90 CFTR (0.44) PTGS2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL2919136 0.90 NTRK1 (0.45) PTGS2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL2919194 0.89 PTGS2 (0.49) PTGS2PIK3CDPIK3R2PIK3CAPIK3CB
Hydrochloric Acid SCHEMBL2917077 0.89 CFTR (0.45) PTGS2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL2921121 0.89 PTGS2 (0.51) PTGS2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL2918775 0.88 PTGS2 (0.52) PTGS2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL2919473 0.88 PTGS2 (0.62) PTGS2PIK3CDPIK3R2PIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 PTGS2 2/4885PIK3CD 2770/4885PIK3R2 3657/4885

“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.