SCHEMBL6795334

SCHEMBL6795334

CC(C)(C)OC(=O)NCCCn1nc2c(c1C(=O)O)CCc1[nH]ncc1-2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.40
CDK2 P24941 10/20 0.40
CCNA1 P78396 10/20 0.40
DRD2 P14416 6/20 0.37
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 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
SCHEMBL6787671 0.92 CCNA2 (0.45) CCNA2CDK2CCNA1DRD2ALDH1A1
SCHEMBL6793109 0.80 STK17B (0.38) DRD2SIGMAR1
SCHEMBL6791776 0.80 CCNA2 (0.49) CCNA2CDK2CCNA1
SCHEMBL6794639 0.79 HCAR2 (0.42) DRD2SIGMAR1
SCHEMBL6799794 0.79 DRD2 (0.40) CCNA2CDK2CCNA1DRD2SIGMAR1
SCHEMBL5233824 0.79 CCNA2 (0.47) CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL1658067 0.78 CCNA2 (0.46) CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL6793699 0.78 CCNA2 (0.46) CCNA2CDK2CCNA1
SCHEMBL6792558 0.78 CCNA2 (0.57) CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL6792168 0.78 CCNA2 (0.46) CCNA2CDK2CCNA1

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 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.