SCHEMBL2910936

SCHEMBL2910936

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 6/20 0.41
GRM2 Q14416 3/20 0.40
RECQL P46063 1/20 0.40
SLC7A5 Q01650 1/20 0.39
QPCT Q16769 1/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
GFER P55789 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL2908090 0.93 PDK1 (0.42) PDK1GRM2RECQLQPCTCYP1A2
SCHEMBL2908204 0.92 MKNK1 (0.48) PDK1GRM2RECQLSLC7A5QPCT
SCHEMBL2909726 0.88 GRM2 (0.46) PDK1GRM2RECQLQPCTTP53
SCHEMBL3205165 0.87 NPC1 (0.43) PDK1GRM2QPCTTP53MAPT
SCHEMBL3122799 0.85 PDE4B (0.42) GRM2SLC7A5QPCTMAPTL3MBTL1
SCHEMBL4193004 0.83 PDE4A (0.52) GRM2TP53MAPT
SCHEMBL2909456 0.83 PDK1 (0.44) PDK1GRM2RECQLQPCTTP53
SCHEMBL4196553 0.82 GRM2 (0.40) GRM2SLC7A5MAPT
SCHEMBL3131249 0.82 ALDH1A1 (0.45) QPCTCYP1A2CYP3A4TSHRBLM
SCHEMBL2910342 0.81 HTT (0.41) GRM2MAPTL3MBTL1

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 PDK1 935/4885GRM2 3987/4885RECQL 137/4885

“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.