SCHEMBL6792323

SCHEMBL6792323

CCOC(=O)Cn1nc(C(=O)OCC)c2c1-c1cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CCNA1 P78396 3/20 0.42
CDK4 P11802 1/20 0.42
CCND3 P30281 1/20 0.42
CDK6 Q00534 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.39
TRPM2 O94759 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL6792298 0.89 CCNA2 (0.43) SMN1; SMN2CCNA2CDK2CCNA1CDK4
SCHEMBL6786625 0.89 CCNA2 (0.41) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6794887 0.86 CCNA2 (0.41) SMN1; SMN2CCNA2CDK2CCNA1CDK4
SCHEMBL6791026 0.84 SMN1; SMN2 (0.42) SMN1; SMN2CCNA2CDK2CCNA1CDK4
SCHEMBL6794542 0.82 CCNA2 (0.40) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6792515 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CCNA2CDK2CCNA1CDK4
SCHEMBL6798193 0.76 ALDH1A1 (0.41) SMN1; SMN2CCNA2CDK2CCNA1CDK4
SCHEMBL6791828 0.76 CDK2 (0.45) CCNA2CDK2CCNA1POLB
SCHEMBL6792545 0.75 CDK4 (0.36) SMN1; SMN2CCNA2CDK2CCNA1CDK4
SCHEMBL6793803 0.74 AURKA (0.51) SMN1; SMN2CCNA2CDK2CCNA1CDK4

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 1 patent. 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

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 SMN1; SMN2 4333/4885CCNA2 270/4885CDK2 29/4885

“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.