SCHEMBL2905903

SCHEMBL2905903

COc1cc(N(Cc2cccnc2)c2cccc(C(=O)O)c2)ccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.52
MKNK2 Q9HBH9 3/20 0.52
GRM2 Q14416 2/20 0.45
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
PDK1 Q15118 4/20 0.43
RECQL P46063 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHODH Q02127 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
QPCT Q16769 1/20 0.41

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
SCHEMBL2909726 0.91 GRM2 (0.46) MKNK1MKNK2GRM2PDK1RECQL
SCHEMBL4190655 0.91 ALDH1A1 (0.50) GRM2PDE4APDE4BPDE4CPDE4D
SCHEMBL2910219 0.90 RECQL (0.48) GRM2PDK1RECQLUSP2ALDH1A1
SCHEMBL2908204 0.88 MKNK1 (0.48) MKNK1MKNK2GRM2CCNE1CDK2
SCHEMBL2908802 0.87 MKNK1 (0.53) MKNK1MKNK2CCNE1CDK2PDK1
SCHEMBL4186765 0.86 GRM2 (0.47) GRM2PDE4APDE4BPDE4CPDE4D
SCHEMBL2910411 0.86 GRM2 (0.46) GRM2PDE4APDE4BPDE4CPDE4D
SCHEMBL4190635 0.86 GRM2 (0.44) GRM2PDE4APDE4BPDE4CPDE4D
SCHEMBL4198518 0.85 GRM2 (0.47) GRM2PDK1PDE4APDE4BPDE4C
SCHEMBL1157710 0.85 MAPT (0.47) GRM2PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007513957-A 2007-05-31 JP claimed
EP-1692109-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS Memory Pharmaceuticals Corporation (US) 2006-08-23 EP claimed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 US claimed
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 WO claimed
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
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 MKNK1 4229/4885MKNK2 4117/4885GRM2 3987/4885

“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.