SCHEMBL2920004

SCHEMBL2920004

COc1ccc(-n2nc(C(=O)N3CCCCC3C(N)=O)cc2-c2ccccc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RPA1 P27694 1/20 0.39
MGLL Q99685 2/20 0.38
JAK2 O60674 1/20 0.38
CNR2 P34972 4/20 0.38
SCN9A Q15858 1/20 0.38
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
FAAH O00519 2/20 0.38
PTGS1 P23219 1/20 0.37
EPHX2 P34913 1/20 0.37
PTGS2 P35354 1/20 0.37
SPHK2 Q9NRA0 1/20 0.37

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 0.86 SCD (0.44) HPGDNPSR1KDM4EALDH1A1LMNA
SCHEMBL2918324 0.86 RPA1 (0.44) HPGDNPSR1KDM4EALDH1A1LMNA
SCHEMBL2918992 0.83 SCD5 (0.45) HPGDNPSR1KDM4EALDH1A1LMNA
SCHEMBL4481928 0.83 TRPV1 (0.42) HPGDNPSR1KDM4EALDH1A1LMNA
SCHEMBL13637499 0.82 MALT1 (0.49) HPGDNPSR1ALDH1A1MAPK1RPA1
SCHEMBL2915944 0.77 MGLL (0.60) HPGDKDM4EALDH1A1LMNARPA1
SCHEMBL2919367 0.77 RPA1 (0.62) ALDH1A1HTTL3MBTL1RPA1
SCHEMBL2918303 0.76 MGLL (0.59) HPGDNPSR1LMNAHTTMGLL
SCHEMBL2911362 0.76 SCD (0.43) HPGDNPSR1KDM4EALDH1A1LMNA
SCHEMBL2918717 0.76 SCD (0.43) HPGDNPSR1KDM4EALDH1A1LMNA

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 HPGD 18/4885NPSR1 718/4885KDM4E 4322/4885

“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.