SCHEMBL5327319

SCHEMBL5327319

CCc1nn(C(C)C)c2nc(-c3ccnn3CC)ccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
PDE11A Q9HCR9 3/20 0.35
CYP2C9 P11712 1/20 0.34
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
ALK Q9UM73 1/20 0.31
PIK3CA P42336 2/20 0.31
MTOR P42345 1/20 0.30
RICTOR Q6R327 1/20 0.30
RPTOR Q8N122 1/20 0.30
MAPKAP1 Q9BPZ7 1/20 0.30
MLST8 Q9BVC4 1/20 0.30
ATR Q13535 2/20 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
SCHEMBL5457981 0.89 PIK3CA (0.32) HTR2AHTR2CPIK3CAMTORRICTOR
SCHEMBL5351228 0.86 PDE1A (0.36) PDE11ACYP2C9PIK3CAMTORRICTOR
SCHEMBL5365430 0.81 ALDH1A1 (0.39) PDE11ACYP2C9
SCHEMBL5360675 0.81 PDE1B (0.33)
SCHEMBL5453948 0.79 FFAR4 (0.36)
SCHEMBL5463772 0.78
SCHEMBL5357219 0.78 MAPT (0.38)
SCHEMBL5468628 0.77 MAPT (0.34)
SCHEMBL14362844 0.77 KHK (0.37) ALK
SCHEMBL3606504 0.77 PIK3CD (0.40) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007123953-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-11-01 WO claimed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US claimed
WO-2007123953-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-11-01 WO disclosed
WO-2007123953-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-11-01 WO disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 CCNK 4171/4885CDK12 3250/4885PDE11A 23/4885

“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.