SCHEMBL6792450

SCHEMBL6792450

CCOC(=O)c1nn(-c2ccc(S(C)(=O)=O)cc2)c2c1CCc1c-2cnn1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.50
CDK2 P24941 4/20 0.50
CCNA1 P78396 4/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
PTGS2 P35354 7/20 0.42
PTGS1 P23219 4/20 0.42
CYP19A1 P11511 3/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL6634331 0.93 CCNA2 (0.49) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL6792645 0.91 CCNA2 (0.54) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL6661004 0.80 CCNA2 (0.59) CCNA2CDK2CCNA1PTGS2PTGS1
SCHEMBL6787577 0.79 CCNA2 (0.47) CCNA2CDK2CCNA1PTGS2PTGS1
SCHEMBL6660064 0.79 CA9 (0.50) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL5226982 0.78 CCNA2 (0.80) CCNA2CDK2CCNA1
SCHEMBL6795570 0.77 CCNA2 (0.59) CCNA2CDK2CCNA1
SCHEMBL3603926 0.74 LMNA (0.46) ALDH1A1KDM4ECYP19A1
SCHEMBL18082803 0.74 CCNA2 (0.46) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL14558176 0.74 CCNA2 (0.50) CCNA2CDK2CCNA1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 CCNA2 270/4885CDK2 29/4885CCNA1 527/4885

“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.