SCHEMBL4931318

SCHEMBL4931318

COC1CCN(C(=O)c2cc(-c3ccc(C(N)=O)cn3)n(-c3cccnc3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.43
PARP2 Q9UGN5 4/20 0.43
MGLL Q99685 5/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.37
NTRK1 P04629 1/20 0.37
IDH1 O75874 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
PIM1 P11309 1/20 0.36
GRM1 Q13255 1/20 0.36
PTGS1 P23219 1/20 0.36
EPHX2 P34913 1/20 0.36
PTGS2 P35354 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
SCHEMBL4932385 0.90 MGLL (0.41) MGLLPIM1GRM1PTGS2
SCHEMBL4927600 0.89 CCKAR (0.42) MGLLNTRK1GPR119PTGS1EPHX2
SCHEMBL4931030 0.88 MGLL (0.45) PARP1PARP2MGLLNTRK1GPR119
SCHEMBL4926833 0.87 GRM1 (0.44) MGLLALDH1A1HTTHPGDGRM1
SCHEMBL4932757 0.86 KDM1A (0.44)
SCHEMBL14563897 0.86 HRH3 (0.40) PARP1PARP2IDH1GPR119
SCHEMBL4924326 0.86 MGLL (0.41) MGLLNTRK1GPR119PTGS1EPHX2
SCHEMBL4927670 0.83 CHRNA7 (0.41) MGLLALDH1A1HPGDGRM1
SCHEMBL4923366 0.80 MGLL (0.41) MGLLALDH1A1HTTNTRK1GPR119
SCHEMBL4931796 0.80 NTRK1 (0.41) MGLLNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 PARP1 1367/4885PARP2 1035/4885MGLL 4785/4885

“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.