SCHEMBL4716286

SCHEMBL4716286

CCOC(=O)c1cc(-c2ccncc2)nn1CCNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 1/20 0.44
FAAH O00519 3/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
CLK1 P49759 1/20 0.42
UBE2N P61088 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP1 P29466 1/20 0.40
LATS1 O95835 2/20 0.40
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
PIM1 P11309 1/20 0.40
GSK3B P49841 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40

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
SCHEMBL20141716 0.91 SMN1; SMN2 (0.60) SMN1; SMN2POLBTDP1MAPTFAAH
SCHEMBL4712694 0.89 SMN1; SMN2 (0.45) SMN1; SMN2POLBTDP1MAPTFAAH
SCHEMBL4716369 0.86 SMN1; SMN2 (0.44) SMN1; SMN2POLBTDP1MAPTFAAH
SCHEMBL16699599 0.85 SMN1; SMN2 (0.48) SMN1; SMN2POLBTDP1MAPTFAAH
SCHEMBL18187532 0.84 ALDH1A1 (0.45) SMN1; SMN2POLBTDP1MAPTALDH1A1
SCHEMBL4716135 0.83 SMN1; SMN2 (0.44) SMN1; SMN2POLBTDP1MAPTFAAH
SCHEMBL4716121 0.83 MAPT (0.42) SMN1; SMN2POLBTDP1MAPTFAAH
SCHEMBL4714499 0.83 MAPT (0.57) SMN1; SMN2POLBTDP1MAPTFAAH
SCHEMBL16682532 0.83 SMN1; SMN2 (0.41) SMN1; SMN2POLBTDP1MAPTFAAH
SCHEMBL16270149 0.82 ADORA3 (0.40) SMN1; SMN2POLBMAPTALDH1A1ADORA3

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 3094/4885TDP1 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.