SCHEMBL2905041

SCHEMBL2905041

COc1cc(C(Nc2ccc(C(=O)OC(C)(C)C)cc2)c2cncs2)ccc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.36
SYK P43405 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
ERN1 O75460 1/20 0.34
STAT3 P40763 2/20 0.34
FLT3 P36888 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
F7 P08709 2/20 0.32
AURKA O14965 2/20 0.32
RPS6KB1 P23443 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32

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
SCHEMBL2908813 0.91 MKNK1 (0.35) MKNK1MKNK2ERN1F7AURKA
SCHEMBL2908192 0.87 IMPDH2 (0.36) CD38IMPDH2IMPDH1STAT3AAK1
SCHEMBL2908019 0.86 KCNQ3 (0.37) IMPDH2IMPDH1FLT3AURKARPS6KB1
SCHEMBL3129124 0.85 SMN1; SMN2 (0.37) IMPDH2IMPDH1F7MEN1MAPT
SCHEMBL2907448 0.77 TMPRSS15 (0.36) AURKARPS6KB1ALPLMEN1MAPT
SCHEMBL2908203 0.75 MKNK1 (0.45) MKNK1MKNK2ALPLMEN1MAPT
SCHEMBL3125818 0.73 TSHR (0.49) F7F2F10PRSS1PRSS2
SCHEMBL2905045 0.71 MKNK1 (0.38) CD38SYKMKNK1MKNK2FLT3
SCHEMBL3202700 0.68 LMNA (0.40) ALPLMEN1MAPTKMT2A
SCHEMBL2910933 0.67 PDE4D (0.40) ALPLMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
EP-1692109-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS Memory Pharmaceuticals Corporation (US) 2006-08-23 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 US disclosed
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 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 (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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B CD38 171/4885SYK 3159/4885MKNK1 4229/4885

“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.