SCHEMBL2908019

SCHEMBL2908019

COc1ccc(C(Nc2ccc(C(=O)OC(C)(C)C)cc2)c2cncs2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
ROCK2 O75116 1/20 0.36
MAPK1 P28482 7/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TMPRSS15 P98073 1/20 0.35
AKT1 P31749 1/20 0.34
MET P08581 4/20 0.33
PTK2 Q05397 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
KIT P10721 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
MST1R Q04912 1/20 0.33

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
SCHEMBL2907448 0.90 TMPRSS15 (0.36) ROCK2MAPK1LMNARAB9ATMPRSS15
SCHEMBL3129124 0.89 SMN1; SMN2 (0.37) MAPK1IMPDH2IMPDH1LMNAHTT
SCHEMBL2905041 0.86 CD38 (0.36) IMPDH2IMPDH1AURKARPS6KB1FLT3
SCHEMBL2908192 0.83 IMPDH2 (0.36) MAPK1IMPDH2IMPDH1LMNARAB9A
SCHEMBL2908813 0.77 MKNK1 (0.35) RAB9ATMPRSS15AURKARPS6KB1
SCHEMBL3125818 0.74 TSHR (0.49) MAPK1LMNA
SCHEMBL3202700 0.71 LMNA (0.40) MAPK1LMNARAB9A
SCHEMBL2908021 0.70 HTT (0.36) KCNQ3KCNQ2MAPK1LMNAHTT
SCHEMBL2905934 0.70 RCE1 (0.50) KCNQ3KCNQ2MAPK1LMNAHTT
SCHEMBL3123717 0.67 TSHR (0.47) LMNARAB9A

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 2 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
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B KCNQ3 1394/4885KCNQ2 1322/4885ROCK2 317/4885

“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.