SCHEMBL4589336

SCHEMBL4589336

CCOC(=O)c1cn2c(n1)CCC(CNC(=O)OC(C)(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 9/20 0.42
▸ ACACA Q13085 6/20 0.42
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ DRD2 P14416 2/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ SPR P35270 2/20 0.38
▸ SUV39H2 Q9H5I1 1/20 0.38
▸ IRAK1 P51617 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL4589317 0.89 ACACB (0.46) ACACBACACACKS1BSKP1SKP2
SCHEMBL8866482 0.79 ACACB (0.47) ACACBACACACKS1BSKP1SKP2
SCHEMBL8866508 0.77 ACACB (0.56) ACACBACACACKS1BSKP1SKP2
SCHEMBL21033472 0.77 GAA (0.41) MEN1ALDH1A1TSHRKMT2A
SCHEMBL21001603 0.76 NPC1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL21033485 0.76 GAA (0.40) MEN1ALDH1A1KMT2A
SCHEMBL21033257 0.75 KMT2A (0.39) MEN1ALDH1A1KMT2A
SCHEMBL21033255 0.75 KMT2A (0.39) MEN1ALDH1A1KMT2A
SCHEMBL21033481 0.75 KMT2A (0.39) MEN1ALDH1A1KMT2A
SCHEMBL21033475 0.74 GAA (0.40) MEN1ALDH1A1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207650-A1 Chemical Compounds 636 ASTRAZENECA AB (SE) 2008-08-28 — — US disclosed
US-20080207650-A1 Chemical Compounds 636 ASTRAZENECA AB (SE) 2008-08-28 — — US disclosed
US-20080207650-A1 Chemical Compounds 636 ASTRAZENECA AB (SE) 2008-08-28 — — US disclosed
WO-2008084240-A1 CHEMICAL COMPOUNDS 636 : PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 — — WO disclosed
WO-2008084240-A1 CHEMICAL COMPOUNDS 636 : PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 — — WO 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-20080207650-A1 Chemical Compounds 636 PDE4A, PDE3B, PDE3A ACACB 2894/4885ACACA 2423/4885CKS1B 2181/4885

“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.

Send feedback