SCHEMBL6799797

SCHEMBL6799797

N#CCCCn1nc2c(c1C(=O)O)CCc1cnccc1-2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.35
PDPK1 O15530 1/20 0.32
CDK2 P24941 1/20 0.32
CREBBP Q92793 1/20 0.31

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
SCHEMBL1659385 0.87 CDK2 (0.34) AAK1PDPK1CDK2
SCHEMBL6790785 0.86 ALDH1A1 (0.37) AAK1CDK2CREBBP
Hydrochloric Acid SCHEMBL1658167 0.85 CDK2 (0.42) PDPK1CDK2
SCHEMBL6793189 0.85 CDK2 (0.35) AAK1PDPK1CDK2
Hydrochloric Acid SCHEMBL1658063 0.84 CDK2 (0.40) PDPK1CDK2
SCHEMBL6793304 0.84 KDM4C (0.37) AAK1CDK2
SCHEMBL1655455 0.84 CDK2 (0.36) PDPK1CDK2
SCHEMBL6787046 0.83 CDK2 (0.38) PDPK1CDK2
Hydrochloric Acid SCHEMBL4257712 0.83 CDK2 (0.36) PDPK1CDK2
SCHEMBL6793766 0.82 CCNA2 (0.39) CDK2

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 AAK1 335/4885PDPK1 87/4885CDK2 29/4885

“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.