SCHEMBL4716135

SCHEMBL4716135

CCOC(=O)c1cc(-c2ccnc(Cl)c2)nn1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
DYRK1A Q13627 1/20 0.41
MAPT P10636 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
FAAH O00519 2/20 0.39
DRD2 P14416 1/20 0.38
ALDH1A1 P00352 3/20 0.38
STING1 Q86WV6 1/20 0.38
BRD4 O60885 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
CFTR P13569 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
SCHEMBL4712694 0.95 SMN1; SMN2 (0.45) SMN1; SMN2POLBTDP1DYRK1AMAPT
SCHEMBL4714499 0.84 MAPT (0.57) SMN1; SMN2POLBTDP1DYRK1AMAPT
SCHEMBL25401892 0.84 ALDH1A1 (0.43) SMN1; SMN2POLBTDP1DYRK1AMAPT
SCHEMBL4715205 0.83 MAPT (0.43) SMN1; SMN2POLBTDP1MAPTFAAH
SCHEMBL4713365 0.83 MAPKAPK2 (0.54) SMN1; SMN2POLBTDP1DYRK1AMAPT
SCHEMBL4716122 0.83 FAAH (0.49) SMN1; SMN2POLBTDP1DYRK1AMAPT
SCHEMBL4716286 0.83 SMN1; SMN2 (0.48) SMN1; SMN2POLBTDP1MAPTAAK1
SCHEMBL4760369 0.83 AAK1 (0.46) DYRK1AAAK1DRD2STK17BSTK17A
SCHEMBL4716369 0.81 SMN1; SMN2 (0.44) SMN1; SMN2POLBTDP1MAPTKDM4E
SCHEMBL20141716 0.80 SMN1; SMN2 (0.60) SMN1; SMN2POLBTDP1MAPTFAAH

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 SMN1; SMN2 3576/4885POLB 3094/4885TDP1 3535/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 SMN1; SMN2 2997/4885POLB 3106/4885TDP1 3706/4885

“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.