SCHEMBL6801024

SCHEMBL6801024

CCOC(=O)c1c2c(nn1CCNC(=O)OC(C)(C)C)-c1cc(C=Cc3ccccc3)ncc1CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCND3 P30281 1/20 0.37
CCNA1 P78396 1/20 0.37
CDK6 Q00534 1/20 0.37
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
CFTR P13569 2/20 0.34
GABRA5 P31644 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
BUB1 O43683 1/20 0.32
CKS1B P61024 2/20 0.32
SKP1 P63208 2/20 0.32
SKP2 Q13309 2/20 0.32

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
SCHEMBL6801021 1.00 CDK4 (0.37) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6788150 0.92 ALDH1A1 (0.36) CCNA2CDK2CCNA1ADORA3ADORA2A
SCHEMBL6788148 0.92 ALDH1A1 (0.36) CCNA2CDK2CCNA1ADORA3ADORA2A
SCHEMBL6794597 0.90 BUB1 (0.35) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6794602 0.90 BUB1 (0.35) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6794135 0.85 CDK4 (0.38) CDK4CCNA2CDK2CCND3CCNA1
Hydrochloric Acid SCHEMBL6793679 0.85 CDK2 (0.39) CDK4CCNA2CDK2CCND3CCNA1
Hydrochloric Acid SCHEMBL6793687 0.85 CDK2 (0.39) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6800043 0.85 CYP11B1 (0.36) CDK4CCNA2CDK2CCND3CCNA1
Hydrochloric Acid SCHEMBL6798552 0.83 CDK2 (0.38) CDK4CCNA2CDK2CCND3CCNA1

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 CDK4 154/4885CCNA2 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.