SCHEMBL6790309

SCHEMBL6790309

C=CCn1nc(C(=O)OCC)c2c1-c1ccncc1CC2

nearest known ligand 0.43

Predicted protein targets (top 19)

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
ELANE P08246 2/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
BRAF P15056 2/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33

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
SCHEMBL6791186 0.82 BRAF (0.36) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6795982 0.76 CDK2 (0.45) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3590440 0.71 APAF1 (0.39) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6791692 0.71 CDK2 (0.45) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6786990 0.71 ELANE (0.36) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6786987 0.71 ELANE (0.36) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6787073 0.70 ALDH1A1 (0.32) ALDH1A1KDM4EHPGD
SCHEMBL6793511 0.70 CDK2 (0.33) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL12240664 0.69 CCNA2 (0.59) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL6793613 0.68 CCNA2 (0.52) 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 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 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.