SCHEMBL4940272

SCHEMBL4940272

CCc1nn(CC)c2nc(CC3CC3)cc(Cl)c12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 3/20 0.32
CDK4 P11802 3/20 0.32
CCND1 P24385 3/20 0.32
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
CRHR1 P34998 5/20 0.31
LRRK2 Q5S007 2/20 0.31
GRM2 Q14416 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
SCHEMBL4938911 0.79 PPARA (0.37) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2250305 0.78 CCNE2 (0.39) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL4933608 0.77 CDK4 (0.34) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL4930597 0.77 CDK2 (0.34) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL3289678 0.66 KMT2A (0.35) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL31194557 0.65 CDK4 (0.33) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL26871203 0.61 CCNT1 (0.36) CDK4CCND1CCNE1CDK2GRM2
SCHEMBL6436636 0.61 PDE4B (0.37) LRRK2
SCHEMBL4934098 0.60 PTGDR2 (0.31)
SCHEMBL26871183 0.59 KDM4E (0.36) GRM2

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-20080021058-A1 Pyrazolo '3,4-B! Pyridine Compounds And Their Use As Phosphodiesterase Type 4(Pde4) Inhibitors GLAXO GROUP LIMITED (GB) 2008-01-24 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-20080021058-A1 Pyrazolo '3,4-B! Pyridine Compounds And Their Use As Phosphodiesterase Type 4(Pde4) Inhibitors PDE4A, PDE4B, PDE3B CCNE2 2340/4885CDK4 290/4885CCND1 2224/4885

“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.