SCHEMBL4714499

SCHEMBL4714499

CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 3/20 0.48
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
FAAH O00519 4/20 0.47
DYRK1A Q13627 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
BRD4 O60885 5/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL4716122 0.90 FAAH (0.49) MAPTTDP1POLBL3MBTL1APEX1
SCHEMBL4712902 0.89 GABRP (0.47) MAPTTDP1POLBL3MBTL1APEX1
SCHEMBL4716135 0.84 SMN1; SMN2 (0.44) MAPTTDP1POLBL3MBTL1FAAH
SCHEMBL20141716 0.84 SMN1; SMN2 (0.60) MAPTTDP1POLBL3MBTL1APEX1
SCHEMBL4716286 0.83 SMN1; SMN2 (0.48) MAPTTDP1POLBL3MBTL1FAAH
SCHEMBL25401892 0.81 ALDH1A1 (0.43) MAPTTDP1POLBDYRK1ASMN1; SMN2
SCHEMBL16270174 0.81 STING1 (0.41) MAPTTDP1DYRK1ABRD4KDM4E
SCHEMBL14188464 0.81 MAPT (0.67) MAPTTDP1POLBL3MBTL1APEX1
Hydrochloric Acid SCHEMBL4717694 0.80 MAPT (0.66) MAPTTDP1POLBL3MBTL1APEX1
SCHEMBL4712740 0.79 DYRK1A (0.45) L3MBTL1DYRK1ABRD4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
EP-1572682-A4 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORP (US) 2008-01-23 EP disclosed
EP-1572682-A2 ACYCLIC PYRAZOLE COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-08-05 US disclosed
WO-2004058176-A2 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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 (2 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 MAPT 1363/4885TDP1 3535/4885POLB 3094/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 MAPT 2038/4885TDP1 3706/4885POLB 3106/4885

“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.