SCHEMBL3598899

SCHEMBL3598899

CCc1n[nH]c2cc(C(=O)N(C)OC)ccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.38
ITK Q08881 4/20 0.38
MAP2K4 P45985 2/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
MLYCD O95822 1/20 0.37
TRPA1 O75762 1/20 0.36
HSP90AA1 P07900 4/20 0.36
HSP90AB1 P08238 4/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
CHEK1 O14757 2/20 0.35
KDR P35968 1/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
GSK3B P49841 1/20 0.34

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
SCHEMBL14362872 0.84 ITK (0.41) JAK1ITKHSP90AA1HSP90AB1ABL1
SCHEMBL3603266 0.81 MAP2K4 (0.52) MAP2K4CHEK1
SCHEMBL3603415 0.79 KMT2A (0.50) ITKMAP2K4HSP90AA1CHEK1KDR
SCHEMBL3604450 0.79 PRKAB2 (0.42) JAK1MAP2K4HSP90AA1HSP90AB1ABL1
SCHEMBL3598894 0.76 TRPA1 (0.50) ITKMAP2K4TRPA1ABL1BCR
SCHEMBL3602826 0.75 SLC22A12 (0.48) PIK3CAMTORMLYCD
SCHEMBL3612834 0.73 SLC22A12 (0.39) PIK3CAMTORMLYCDKDR
SCHEMBL3609999 0.72 SLC22A12 (0.45) PIK3CA
SCHEMBL21824192 0.70 PDE4A (0.46) MLYCD
SCHEMBL4899295 0.70 MEN1 (0.50) MAP2K4

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 16 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-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
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-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 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
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 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
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
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 JAK1 3276/4885ITK 3690/4885MAP2K4 778/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 JAK1 3276/4885ITK 3690/4885MAP2K4 778/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 JAK1 3276/4885ITK 3690/4885MAP2K4 778/4885

“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.