SCHEMBL5963533

SCHEMBL5963533

CCc1nn(CC)c2nccc(NC3CCNC(=O)CC3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
GRM1 Q13255 3/20 0.35
KHK P50053 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE5A O76074 1/20 0.31
CSF1R P07333 1/20 0.30
SLC5A1 P13866 1/20 0.30
CDK4 P11802 2/20 0.30
CCND1 P24385 1/20 0.30
CCND2 P30279 1/20 0.30
CCND3 P30281 1/20 0.30
JAK3 P52333 2/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL4937428 0.87 ROCK2 (0.42) POLBGRM1KHKROCK2ROCK1
SCHEMBL4931029 0.84 ADORA2A (0.39) POLBKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4935601 0.83 ROCK2 (0.41) ROCK2ROCK1CDC42BPBPDE5ACSF1R
SCHEMBL4935343 0.83 ROCK2 (0.41) ROCK2ROCK1CDC42BPBPDE5ACSF1R
SCHEMBL5963093 0.81 KDM4E (0.35) POLBGRM1HSP90AA1KDM4EMEN1
SCHEMBL4951394 0.81 LRRK2 (0.39) POLBKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4933819 0.79 POLB (0.41) POLBGRM1HSP90AA1KDM4EMEN1
SCHEMBL4951407 0.78 MAPT (0.44) POLBKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4954967 0.77 PDE1B (0.42)
SCHEMBL4951836 0.77 GRM1 (0.33) POLBGRM1HSP90AA1KDM4EMEN1

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-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2006-04-27 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-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE5A, PDE3B, PDE4A POLB 2166/4885GRM1 955/4885KHK 2119/4885

“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.