SCHEMBL6792687

SCHEMBL6792687

O=C(O)CCn1nc(C(=O)O)c2c1-c1cn[nH]c1CC2

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 20/20 0.65
CDK2 P24941 20/20 0.65
CCNA1 P78396 20/20 0.65
IKBKB O14920 1/20 0.43

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
SCHEMBL6793939 0.91 CCNA2 (0.69) CCNA2CDK2CCNA1IKBKB
SCHEMBL6799888 0.89 CCNA2 (0.80) CCNA2CDK2CCNA1IKBKB
SCHEMBL5229650 0.86 CCNA2 (0.64) CCNA2CDK2CCNA1
SCHEMBL5229486 0.82 CCNA2 (0.57) CCNA2CDK2CCNA1IKBKB
SCHEMBL6791646 0.82 CCNA2 (0.81) CCNA2CDK2CCNA1IKBKB
SCHEMBL5233166 0.82 CCNA2 (0.78) CCNA2CDK2CCNA1IKBKB
Hydrochloric Acid SCHEMBL6794519 0.81 CCNA2 (0.80) CCNA2CDK2CCNA1IKBKB
Hydrochloric Acid SCHEMBL6791607 0.81 CCNA2 (0.56) CCNA2CDK2CCNA1IKBKB
SCHEMBL5229301 0.77 CCNA2 (0.52) CCNA2CDK2CCNA1IKBKB
SCHEMBL5229256 0.76 CCNA2 (0.78) CCNA2CDK2CCNA1IKBKB

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.