SCHEMBL5720871

SCHEMBL5720871

CCOC(=O)n1ncc2c1CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.42
ELANE P08246 1/20 0.41
SLC34A1 Q06495 2/20 0.40
MAPT P10636 1/20 0.39
ESR2 Q92731 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.38
HPGDS O60760 1/20 0.38
NAMPT P43490 1/20 0.38
ADORA1 P30542 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HDAC1 Q13547 1/20 0.37
TP53 P04637 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
SCHEMBL20738562 0.82 NR1H2 (0.43) NR1H2SLC34A1MAPTESR2MAPK1
SCHEMBL20364274 0.80 NR1H2 (0.46) NR1H2SLC34A1MAPTESR2MAPK1
SCHEMBL30990850 0.79 NR1H2 (0.38) NR1H2SLC34A1MAPTESR2LMNA
SCHEMBL20392577 0.79 SLC34A1 (0.42) NR1H2ELANESLC34A1MAPTESR2
SCHEMBL16479715 0.78 NR1H2 (0.43) NR1H2ELANESLC34A1MAPTESR2
SCHEMBL22953221 0.77 NR1H2 (0.44) NR1H2ELANESLC34A1MAPTESR2
SCHEMBL5720837 0.77 HDAC1 (0.40) NR1H2SLC34A1MAPTESR2KMT2A
SCHEMBL9918094 0.77 NR1H2 (0.42) NR1H2SLC34A1MAPTESR2MAPK1
SCHEMBL6891275 0.76 NR1H2 (0.41) NR1H2SLC34A1MAPTESR2MAPK1
SCHEMBL18493673 0.76 SLC34A1 (0.42) NR1H2SLC34A1MAPTESR2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135508-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-06-22 US disclosed
EP-1527074-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-05-04 EP disclosed
WO-2004013144-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2004-02-12 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 (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-20060135508-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K5, MAP3K19 NR1H2 4654/4885ELANE 4345/4885SLC34A1 4272/4885

“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.