SCHEMBL3282402

SCHEMBL3282402

CCc1c(C(=O)O)cnc2[nH]ncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 7/20 0.45
CCNE1 P24864 7/20 0.45
CDK2 P24941 7/20 0.45
CCNB2 O95067 3/20 0.44
CDK1 P06493 3/20 0.44
CCNB1 P14635 3/20 0.44
CCNB3 Q8WWL7 3/20 0.44
PDE4B Q07343 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41

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
SCHEMBL2112360 0.77 CCNE2 (0.46) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL10517093 0.75 CCNE2 (0.44) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL17514112 0.75 CCNE2 (0.51) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL22349056 0.75 ALDH1A1 (0.42) CCNE2CCNE1CDK2PDE4BALDH1A1
SCHEMBL11786604 0.75 CCNE2 (0.48) CCNE2CCNE1CDK2CCNB2CDK1
Hydrochloric Acid SCHEMBL7007880 0.74 CCNE2 (0.44) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL11395584 0.73 CDK2 (0.43) CCNE2CCNE1CDK2CCNB2CDK1
Acetic Acid SCHEMBL11790811 0.73 CCNE2 (0.47) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL5173971 0.71 PDE4B (0.55) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1973503 0.71 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2

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-7709497-B2 Pyrazolo[3,4-b]pyridine compound, and its use as a PDE4 inhibitor GLAXO GROUP LIMITED (GB) 2010-05-04 US disclosed
US-20070280971-A1 Pyrazolo[3,4-B]Pyridine Compound, and Its Use as a Pde4 Inhibitor GLAXO GROUP LIMITED (GB) 2007-12-06 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-20070280971-A1 Pyrazolo[3,4-B]Pyridine Compound, and Its Use as a Pde4 Inhibitor PDE4B, PDE4A, PDE3B CCNE2 4401/4885CCNE1 4092/4885CDK2 1151/4885

“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.