SCHEMBL5030209

SCHEMBL5030209

COc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2[nH]nc(/C=C/c3cccc(C(C)=O)c3)c12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.45
CTSB P07858 4/20 0.45
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
HPGDS O60760 4/20 0.40
KCNA5 P22460 1/20 0.39
CTSL P07711 1/20 0.39
KDR P35968 3/20 0.37
AURKA O14965 1/20 0.37
F10 P00742 1/20 0.36

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
SCHEMBL5032420 0.92 CAPN1 (0.50) CAPN1CTSBROCK2ROCK1HPGDS
SCHEMBL5030047 0.91 CHEK1 (0.37) CAPN1CTSBROCK2ROCK1KDR
SCHEMBL5031117 0.87 CAPN1 (0.51) CAPN1CTSBROCK2ROCK1HPGDS
SCHEMBL13927719 0.86 CHEK1 (0.38) KDR
SCHEMBL5031209 0.86 CHEK1 (0.38) KDR
SCHEMBL6426415 0.86 CAPN1 (0.48) CAPN1CTSBROCK2ROCK1HPGDS
SCHEMBL13927729 0.85 CAPN1 (0.49) CAPN1CTSBROCK2ROCK1HPGDS
SCHEMBL6428453 0.84 CAPN1 (0.46) CAPN1CTSBROCK2ROCK1CTSL
SCHEMBL6426039 0.83 CAPN1 (0.49) CAPN1CTSBROCK2ROCK1HPGDS
SCHEMBL6426375 0.83 CAPN1 (0.44) CAPN1CTSBROCK2ROCK1HPGDS

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
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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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 CAPN1 4439/4885CTSB 3534/4885ROCK2 503/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CAPN1 4435/4885CTSB 3688/4885ROCK2 560/4885

“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.