SCHEMBL4511218

SCHEMBL4511218

CCc1nc2c(cnn2CC)c(NC2CCN(C(N)=O)CC2)c1CNC(=O)COc1ccccc1C(=O)NCc1c(CC)nc2c(cnn2CC)c1NC1CCN(C(N)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.46
PDE4D Q08499 6/20 0.38
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL1435021 0.88 PDE4B (0.48) PDE4BPDE4D
SCHEMBL1434986 0.87 PDE4B (0.47) PDE4BPDE4DCDK1CDK4CCND1
SCHEMBL4511362 0.87 PDE4B (0.43) PDE4B
SCHEMBL4510509 0.85 PDE4B (0.45) PDE4BPDE4D
SCHEMBL4520179 0.84 PDE4B (0.44) PDE4BPDE4D
SCHEMBL1434545 0.83 PDE4B (0.60) PDE4B
SCHEMBL2244424 0.82 PDE4B (0.42) PDE4BPDE4D
SCHEMBL4514518 0.82 PDE4B (0.42) PDE4BPDE4D
SCHEMBL4525313 0.82 PDE4B (0.41) PDE4BPDE4D
Trifluoroacetic Acid SCHEMBL4520452 0.82 PDE4B (0.39) PDE4BPDE4D

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-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2009-12-31 US claimed
US-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2009-12-31 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-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 PDE4B 2/4885PDE4D 6/4885CDK1 1557/4885

“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.