SCHEMBL4760588

SCHEMBL4760588

CCOC(=O)c1cc(-c2ccnc(-c3cccc(OCc4ccccc4)c3)c2)nn1CCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.44
FAAH O00519 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CFTR P13569 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
SYK P43405 1/20 0.37
PPARG P37231 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
SCHEMBL14188390 0.85 SMN1; SMN2 (0.54) SMN1; SMN2POLBMAPTFAAHTDP1
Hydrochloric Acid SCHEMBL4712879 0.84 SMN1; SMN2 (0.53) SMN1; SMN2POLBMAPTFAAHTDP1
SCHEMBL20141716 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTFAAHTDP1
SCHEMBL4716369 0.84 SMN1; SMN2 (0.44) SMN1; SMN2POLBMAPTFAAHTDP1
SCHEMBL4719835 0.82 MAPKAPK2 (0.55) SMN1; SMN2POLBMAPTFAAHTDP1
SCHEMBL4712694 0.81 SMN1; SMN2 (0.45) SMN1; SMN2POLBMAPTFAAHTDP1
SCHEMBL4716121 0.81 MAPT (0.42) SMN1; SMN2POLBMAPTFAAHTDP1
SCHEMBL16270169 0.81 SYK (0.45) SMN1; SMN2POLBMAPTTDP1JAK2
SCHEMBL16699599 0.80 SMN1; SMN2 (0.48) SMN1; SMN2POLBMAPTFAAHTDP1
SCHEMBL18187532 0.80 ALDH1A1 (0.45) SMN1; SMN2POLBMAPTTDP1ALDH1A1

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 5 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
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 3094/4885MAPT 1363/4885
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 3106/4885MAPT 2038/4885

“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.