SCHEMBL3559853

SCHEMBL3559853

O=C(Nc1cc(C2CCC2)[nH]n1)C1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.55
CCNA2 P20248 16/20 0.55
CCNA1 P78396 16/20 0.55
CDK9 P50750 3/20 0.50
CDK5 Q00535 3/20 0.50
CCNE1 P24864 2/20 0.50
CDK5R1 Q15078 2/20 0.50
CCNT1 O60563 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48

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
SCHEMBL5867649 0.84 CCNA2 (0.59) CDK2CCNA2CCNA1
SCHEMBL5867732 0.84 CCNA2 (0.62) CDK2CCNA2CCNA1
SCHEMBL3567395 0.82 CDK2 (0.53) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL3564951 0.81 CDK2 (0.47) CDK2CCNA2CCNA1CCNE1
SCHEMBL30458326 0.79 CDK2 (0.61) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL17632446 0.78 USP30 (0.54) CDK2CCNA2CCNA1
SCHEMBL17632448 0.78 USP30 (0.54) CDK2CCNA2CCNA1
SCHEMBL25941301 0.78 CDK2 (0.67) CDK2CCNE1
SCHEMBL25938137 0.78 CDK2 (0.67) CDK2CCNE1
SCHEMBL3559850 0.77 NPY5R (0.46)

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-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP CDK2 58/4885CCNA2 784/4885CCNA1 404/4885

“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.