SCHEMBL6426068

SCHEMBL6426068

COc1c(C(=O)NCc2ncco2)ccc2[nH]nc(/C=C/c3ccc(F)c(F)c3)c12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
S1PR3 Q99500 8/20 0.35
SCN9A Q15858 1/20 0.32
KCNK3 O14649 1/20 0.32
ROCK2 O75116 1/20 0.32
NTRK1 P04629 2/20 0.32
ALDH1A1 P00352 1/20 0.32
P2RX3 P56373 1/20 0.31

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
SCHEMBL6429431 0.94 TUBB1 (0.39) MAPK1ROCK2ALDH1A1
SCHEMBL6426053 0.94 BACE1 (0.36) MAPK1KCNK3ROCK2ALDH1A1
SCHEMBL6427289 0.91 MAPK1 (0.42) MAPK1NTRK1
SCHEMBL13927851 0.90 CHEK1 (0.39) MAPK1ALDH1A1
SCHEMBL13927849 0.89 EGLN1 (0.36) MAPK1SCN9A
SCHEMBL6426878 0.87 MAPK1 (0.40) MAPK1SCN9AKCNK3ROCK2NTRK1
SCHEMBL6427413 0.86 HPGD (0.44) MAPK1ALDH1A1
SCHEMBL5027538 0.85 ROCK2 (0.34) MAPK1KCNK3ROCK2
SCHEMBL6427146 0.85 JAK1 (0.45) ALDH1A1
SCHEMBL4154688 0.84 APEX1 (0.42) MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B MAPK1 7/4885S1PR3 1944/4885SCN9A 2431/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPK1 6/4885S1PR3 2066/4885SCN9A 2678/4885

“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.