SCHEMBL4481928

SCHEMBL4481928

COc1ccc(-n2nc(C(=O)N3CCC[C@H]3CO)cc2-c2ccccc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
ROCK2 O75116 2/20 0.42
SCD5 Q86SK9 2/20 0.41
MGLL Q99685 2/20 0.41
SPHK2 Q9NRA0 1/20 0.40
SCD O00767 1/20 0.40
RPA1 P27694 1/20 0.39
NTRK1 P04629 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RIPK1 Q13546 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL2919458 0.83 MGLL (0.46) TRPV1ROCK2SCD5MGLLSCD
SCHEMBL2920004 0.83 HPGD (0.42) SCD5MGLLSPHK2SCDRPA1
SCHEMBL13637499 0.81 MALT1 (0.49) MGLLRPA1ALDH1A1HPGDMAPK1
SCHEMBL5268570 0.80 ADORA2A (0.44) SCD5SCDNTRK1
SCHEMBL5270446 0.80 NTRK1 (0.42) SCD5SCDNTRK1ALDH1A1ABL1
SCHEMBL5271916 0.80 NTRK1 (0.42) SCD5SCDNTRK1ALDH1A1ABL1
SCHEMBL2915944 0.78 MGLL (0.60) MGLLRPA1KDM4EALDH1A1LMNA
SCHEMBL2919367 0.78 RPA1 (0.62) RPA1ALDH1A1HTTL3MBTL1
SCHEMBL2918303 0.77 MGLL (0.59) MGLLLMNAHPGDHTTNPSR1
SCHEMBL2914583 0.77 MGLL (0.44) SCD5MGLLSCDRPA1KDM4E

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-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

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 TRPV1 171/4885ROCK2 835/4885SCD5 1708/4885

“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.