SCHEMBL4933608

SCHEMBL4933608

CCc1nn(CC)c2nc(C3CCCC3)cc(Cl)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.34
CCND1 P24385 5/20 0.34
CCNE2 O96020 4/20 0.34
CCNE1 P24864 4/20 0.34
CDK2 P24941 4/20 0.34
PSD A5PKW4 2/20 0.34
TP53 P04637 3/20 0.34
PPARA Q07869 1/20 0.34
GAA P10253 1/20 0.34
CTSK P43235 3/20 0.33
CTSS P25774 2/20 0.33
KHK P50053 1/20 0.32
LMNA P02545 3/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
ADORA1 P30542 2/20 0.32
PIK3CB P42338 1/20 0.32

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
SCHEMBL4930597 0.97 CDK2 (0.34) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4938911 0.95 PPARA (0.37) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL2250305 0.78 CCNE2 (0.39) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4940272 0.77 CCNE2 (0.32) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4934098 0.70 PTGDR2 (0.31) KHK
SCHEMBL3289678 0.66 KMT2A (0.35) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL31194557 0.65 CDK4 (0.33) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL12953531 0.62 CHEK1 (0.55) CDK2PSDCTSKCTSSSMN1; SMN2
SCHEMBL6436636 0.61 PDE4B (0.37) GAASMN1; SMN2
SCHEMBL24460578 0.61 CTSK (0.47) CTSKCTSS

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 CDK4 290/4885CCND1 2224/4885CCNE2 2340/4885

“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.