SCHEMBL2920732

SCHEMBL2920732

COc1ccc(-n2nc(C(=O)N3CCCCC3C(N)=O)cc2-c2ccccn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.39
SCD O00767 1/20 0.39
NTRK1 P04629 2/20 0.39
CNR2 P34972 5/20 0.38
SCN9A Q15858 1/20 0.38
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
PIK3CD O00329 1/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
KCNQ1 P51787 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2917722 0.89 SCD (0.44) SCD5SCDCNR2FAAHMGLL
SCHEMBL2911654 0.87 PIK3CA (0.39) SCD5SCDNTRK1MGLLPIK3CD
SCHEMBL2918390 0.87 NTRK1 (0.46) SCD5SCDNTRK1SCN9AMGLL
SCHEMBL5265982 0.86 SCD5 (0.43) SCD5SCDNTRK1CNR2MGLL
SCHEMBL5268588 0.86 SCD5 (0.38) SCD5SCDNTRK1FAAHMGLL
SCHEMBL5266670 0.86 CNR2 (0.37) SCD5SCDCNR2SCN9AFAAH
SCHEMBL2919962 0.84 CFTR (0.35) NTRK1MGLLPIK3CDHPGD
SCHEMBL5269777 0.84 GRM2 (0.38) SCD5SCDCNR2SCN9AFAAH
SCHEMBL13637539 0.83 MALT1 (0.45) MGLLPIK3CDALDH1A1HPGDHTT
SCHEMBL2919330 0.82 NTRK1 (0.40) SCD5SCDNTRK1MGLL

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 5 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
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 SCD5 1708/4885SCD 2230/4885NTRK1 4844/4885

“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.