SCHEMBL2918992

SCHEMBL2918992

COc1ccc(-n2nc(C(=O)N3CCC[C@H]3C(N)=O)cc2-c2ccccc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 3/20 0.45
SCD O00767 2/20 0.45
RPA1 P27694 1/20 0.45
DGAT1 O75907 3/20 0.43
SCN9A Q15858 1/20 0.43
MGLL Q99685 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
ENPP2 Q13822 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FAAH O00519 2/20 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
SCHEMBL2918324 0.97 RPA1 (0.44) SCD5SCDRPA1DGAT1SCN9A
SCHEMBL2920004 0.83 HPGD (0.42) SCD5SCDRPA1SCN9AMGLL
SCHEMBL2917722 0.80 SCD (0.44) SCD5SCDRPA1MGLLALDH1A1
SCHEMBL2919676 0.79 MGLL (0.58) RPA1MGLLALDH1A1KDM4EHPGD
SCHEMBL2918042 0.79 RPA1 (0.70) RPA1ALDH1A1HTTKDM4EL3MBTL1
SCHEMBL2919170 0.73 CA9 (0.55) RPA1MGLLALDH1A1FAAH
SCHEMBL5272502 0.72 SCD (0.40) SCD5SCDDGAT1SCN9AMGLL
SCHEMBL4481928 0.71 TRPV1 (0.42) SCD5SCDRPA1SCN9AMGLL
SCHEMBL5524791 0.71 RPA1 (0.46) RPA1ALDH1A1
SCHEMBL2911613 0.71 MGLL (0.44) SCD5SCDRPA1MGLL

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 6 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-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 2230/4885RPA1 4200/4885

“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.