SCHEMBL3600918

SCHEMBL3600918

CCc1nn(C(C)C)c2nc(C#N)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.37
PIK3CA P42336 3/20 0.37
MTOR P42345 3/20 0.37
ABL1 P00519 3/20 0.37
HCK P08631 3/20 0.37
PIK3CD O00329 2/20 0.37
EGFR P00533 2/20 0.37
KDR P35968 2/20 0.37
PIK3CB P42338 2/20 0.37
EPHB4 P54760 2/20 0.37
PRKDC P78527 2/20 0.37
PI4KB Q9UBF8 2/20 0.37
KDM5A P29375 1/20 0.34
RICTOR Q6R327 1/20 0.33
RPTOR Q8N122 1/20 0.33
MAPKAP1 Q9BPZ7 1/20 0.33
MLST8 Q9BVC4 1/20 0.33
GAA P10253 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL5353111 0.81 MTOR (0.39) SRCPIK3CAMTORABL1HCK
SCHEMBL3608704 0.78 PIK3CA (0.35) SRCPIK3CAMTORABL1HCK
SCHEMBL5457981 0.71 PIK3CA (0.32) SRCPIK3CAMTORABL1HCK
SCHEMBL3601553 0.70 PDE4D (0.46) MERTK
SCHEMBL5322571 0.70 JMJD6 (0.32)
SCHEMBL20927195 0.70 MPO (0.42) SRCPIK3CAMTORABL1HCK
SCHEMBL5355113 0.69 NLRP3 (0.40) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL5351228 0.69 PDE1A (0.36) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL5327319 0.69 CCNK (0.36) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL23467037 0.69 PRKDC (0.38) SRCPIK3CAMTORABL1HCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US 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
EP-1799673-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US disclosed
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 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 (3 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 SRC 4406/4885PIK3CA 1703/4885MTOR 4066/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 SRC 4406/4885PIK3CA 1703/4885MTOR 4066/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 SRC 4406/4885PIK3CA 1703/4885MTOR 4066/4885

“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.