SCHEMBL6794857

SCHEMBL6794857

CCOC(=O)c1c2c(nn1CCNC(=O)OC(C)(C)C)-c1ccncc1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LATS1 O95835 4/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK6 Q00534 1/20 0.35
BUB1 O43683 2/20 0.35
TSHR P16473 1/20 0.35
BRAF P15056 1/20 0.34
EIF2AK3 Q9NZJ5 1/20 0.34
NAMPT P43490 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6793980 0.95 LATS1 (0.37) CYP11B1CYP11B2LATS1ADORA3ADORA2A
SCHEMBL6792392 0.89 CYP11B1 (0.39) CYP11B1CYP11B2LATS1NAMPTCYP3A4
Lithium Ion SCHEMBL6792381 0.88 CYP11B1 (0.39) CYP11B1CYP11B2LATS1BUB1NAMPT
SCHEMBL6800043 0.85 CYP11B1 (0.36) CYP11B1CYP11B2ADORA3ADORA2ACDK4
SCHEMBL6791398 0.84 CYP11B1 (0.36) CYP11B1CYP11B2ADORA3ADORA2ACDK4
SCHEMBL6792783 0.83 CDK4 (0.35) CDK4CCNA2CDK2CCND3CCNA1
Trifluoroacetic Acid SCHEMBL6792793 0.83 CDK2 (0.37) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6794135 0.82 CDK4 (0.38) CYP11B1CYP11B2ADORA3ADORA2ACDK4
Hydrochloric Acid SCHEMBL6793245 0.82 CCNA2 (0.37) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6794424 0.81 ROCK2 (0.41) 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 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 CYP11B1 785/4885CYP11B2 524/4885LATS1 1396/4885

“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.