SCHEMBL2911362

SCHEMBL2911362

COc1ccc(-n2nc(C(=O)N3CCCCC3C(=O)N(C)C)cc2-c2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.43
SCD5 Q86SK9 1/20 0.43
MGLL Q99685 7/20 0.43
RPA1 P27694 1/20 0.43
NTRK1 P04629 1/20 0.42
SCN9A Q15858 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PTGS1 P23219 2/20 0.39
EPHX2 P34913 2/20 0.39
PTGS2 P35354 2/20 0.39
MALT1 Q9UDY8 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
SCHEMBL2917722 0.90 SCD (0.44) SCDSCD5MGLLRPA1KDM4E
SCHEMBL2918717 0.88 SCD (0.43) SCDSCD5MGLLRPA1KDM4E
SCHEMBL13637495 0.87 HPGD (0.54) SCDSCD5MGLLRPA1KDM4E
SCHEMBL2919458 0.85 MGLL (0.46) SCDSCD5MGLLRPA1NTRK1
SCHEMBL2921275 0.85 MGLL (0.45) SCDSCD5MGLLRPA1KDM4E
SCHEMBL2921243 0.84 DGAT1 (0.43) SCDSCD5MGLLPTGS2MALT1
SCHEMBL2912065 0.84 MGLL (0.45) SCDSCD5MGLLRPA1KDM4E
SCHEMBL2914583 0.83 MGLL (0.44) SCDSCD5MGLLRPA1KDM4E
SCHEMBL13637496 0.83 MGLL (0.44) SCDSCD5MGLLRPA1KDM4E
SCHEMBL13212909 0.83 MGLL (0.44) SCDSCD5MGLLRPA1KDM4E

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 SCD 2230/4885SCD5 1708/4885MGLL 2165/4885

“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.