SCHEMBL6793980

SCHEMBL6793980

CCOC(=O)c1c2c(nn1CCCNC(=O)OC(C)(C)C)-c1ccncc1CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.36
DYRK1A Q13627 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
CPB2 Q96IY4 1/20 0.35
DRD2 P14416 3/20 0.35
BRD4 O60885 4/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK6 Q00534 1/20 0.34
STING1 Q86WV6 2/20 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
SCHEMBL6794857 0.95 CYP11B1 (0.38) LATS1KDM4EMAPTNPSR1CYP3A4
SCHEMBL6787398 0.84 CYP3A4 (0.38) LATS1CYP3A4DYRK1ACYP11B1CYP11B2
SCHEMBL6793729 0.84 CYP3A4 (0.38) LATS1CYP3A4DYRK1ACYP11B1CYP11B2
SCHEMBL6792392 0.84 CYP11B1 (0.39) LATS1CYP3A4CYP11B1CYP11B2DRD2
SCHEMBL6794272 0.83 CCNA2 (0.37) KDM4EMAPTNPSR1CDK4CCNA2
SCHEMBL6794500 0.83 CYP11B1 (0.38) LATS1CYP3A4DYRK1ACYP11B1CYP11B2
Lithium Ion SCHEMBL6792381 0.83 CYP11B1 (0.39) LATS1CYP3A4CYP11B1CYP11B2DRD2
SCHEMBL6788323 0.82 CDK4 (0.35) KDM4ECDK4CCNA2CDK2CCND3
Hydrochloric Acid SCHEMBL6789049 0.82 CDK2 (0.37) KDM4ENPSR1CDK4CCNA2CDK2
SCHEMBL6792409 0.82 TEAD2 (0.38) KDM4ENPSR1CDK4CCNA2CDK2

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 LATS1 1396/4885KDM4E 2167/4885MAPT 3143/4885

“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.