SCHEMBL2916599

SCHEMBL2916599

COc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2cc(N3CCCC3)ccn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.43
CFTR P13569 2/20 0.42
CCKAR P32238 1/20 0.41
KCNH2 Q12809 4/20 0.41
MALT1 Q9UDY8 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PIK3CD O00329 4/20 0.38
PIK3CA P42336 4/20 0.38
PIK3CB P42338 4/20 0.38
PIK3CG P48736 3/20 0.38
HRH4 Q9H3N8 1/20 0.38
TP53BP1 Q12888 3/20 0.37
HPGD P15428 1/20 0.37
BRD4 O60885 1/20 0.37
PIK3R2 O00459 1/20 0.36
PIK3R5 Q8WYR1 1/20 0.36
PIK3R3 Q92569 1/20 0.36

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
SCHEMBL2910500 0.90 CFTR (0.45) CFTRCCKARMALT1
SCHEMBL2911608 0.89 MGLL (0.46) MGLLCFTRCCKARKCNH2MALT1
SCHEMBL2921251 0.88 MGLL (0.45) MGLLCFTRCCKARKCNH2MALT1
SCHEMBL2920392 0.87 MGLL (0.42) MGLLCFTRCCKARKCNH2MALT1
SCHEMBL2919465 0.85 MGLL (0.46) MGLLCFTRCCKARKCNH2MALT1
SCHEMBL2919855 0.85 MGLL (0.50) MGLLCFTRCCKARKCNH2PIK3CD
SCHEMBL2910716 0.85 PTGS2 (0.42) MGLLCFTRCCKARKCNH2PIK3CD
SCHEMBL5271456 0.83 MGLL (0.45) MGLLCFTRCCKARKCNH2MALT1
SCHEMBL2919022 0.82 MGLL (0.46) MGLLCFTRCCKARKCNH2MALT1
SCHEMBL2918291 0.82 HPGD (0.46) MGLLCFTRMALT1PIK3CDPIK3CA

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 MGLL 2165/4885CFTR 1992/4885CCKAR 3267/4885

“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.