SCHEMBL6792298

SCHEMBL6792298

CCOC(=O)c1nn(CCO)c2c1CCc1c-2cnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.43
CDK2 P24941 4/20 0.43
CCNA1 P78396 4/20 0.43
CDK4 P11802 1/20 0.43
CCND3 P30281 1/20 0.43
CDK6 Q00534 1/20 0.43
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 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
SCHEMBL6794887 0.90 CCNA2 (0.41) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6792323 0.89 SMN1; SMN2 (0.42) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6786625 0.89 CCNA2 (0.41) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6794542 0.85 CCNA2 (0.40) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6792545 0.84 CDK4 (0.36) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6792515 0.76 SMN1; SMN2 (0.39) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6793950 0.76 CCNA2 (0.39) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6791828 0.76 CDK2 (0.45) CCNA2CDK2CCNA1RAB9A
SCHEMBL6791026 0.75 SMN1; SMN2 (0.42) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6793803 0.74 AURKA (0.51) CCNA2CDK2CCNA1CDK4CCND3

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 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.