SCHEMBL5034409

SCHEMBL5034409

COc1c(C(=O)NC(CO)C(N)=O)ccc2[nH]nc(/C=C/c3ccc(C(C)=O)cc3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 5/20 0.37
CTSB P07858 3/20 0.37
KDR P35968 3/20 0.33
CHEK1 O14757 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
ABL1 P00519 2/20 0.32
BCR P11274 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ROCK2 O75116 3/20 0.31
ROCK1 Q13464 3/20 0.31
KCNA5 P22460 1/20 0.31
HDAC6 Q9UBN7 2/20 0.31
BMPR1B O00238 1/20 0.31
PLK4 O00444 1/20 0.31
STK25 O00506 1/20 0.31
CIT O14578 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
SCHEMBL5030047 0.90 CHEK1 (0.37) CAPN1CTSBKDRCHEK1ROCK2
SCHEMBL5029996 0.90 CAPN1 (0.38) CAPN1CTSBKDRCHEK1CCNA2
SCHEMBL5032420 0.89 CAPN1 (0.50) CAPN1CTSBROCK2ROCK1KCNA5
SCHEMBL5029929 0.89 HPGDS (0.33) CAPN1CTSBKDRCHEK1CCNA2
SCHEMBL13927724 0.89 HPGDS (0.33) CAPN1CTSBKDRCHEK1CCNA2
SCHEMBL13927730 0.87 TUBB4A (0.36) CAPN1CTSBCHEK1JAK2JAK1
SCHEMBL5029967 0.87 PAK4 (0.33) KDRCHEK1CCNA2CDK2ABL1
SCHEMBL13927723 0.87 PAK4 (0.33) KDRCHEK1CCNA2CDK2ABL1
SCHEMBL5030209 0.81 CAPN1 (0.45) CAPN1CTSBKDRROCK2ROCK1
SCHEMBL5030122 0.80 KDR (0.36) KDRCHEK1CCNA2CDK2CDK4

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 3534/4885KDR 932/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CAPN1 4435/4885CTSB 3688/4885KDR 1044/4885

“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.