SCHEMBL5720837

SCHEMBL5720837

CCOC(=O)n1cc2c(n1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
NR1H2 P55055 3/20 0.39
ESR2 Q92731 1/20 0.39
MAPK1 P28482 1/20 0.38
NAMPT P43490 1/20 0.38
SLC34A1 Q06495 1/20 0.38
ADORA1 P30542 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
MTOR P42345 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
C5AR1 P21730 1/20 0.35

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
SCHEMBL30798206 0.85 TMEM97 (0.43) ESR2MAPK1NAMPTHTTKMT2A
SCHEMBL20738563 0.82 HDAC1 (0.41) HDAC1NR1H2ESR2MAPK1NAMPT
SCHEMBL18376191 0.80 NR1H2 (0.46) HDAC1NR1H2ESR2MAPK1NAMPT
SCHEMBL31460333 0.79 HDAC1 (0.41) HDAC1NR1H2ESR2MAPK1NAMPT
SCHEMBL25025095 0.79 NR1H2 (0.36) HDAC1NR1H2ESR2MAPK1NAMPT
SCHEMBL30834648 0.79 GPR119 (0.44) HDAC1SLC34A1MAPTHTTATM
SCHEMBL22403012 0.79 PDK2 (0.50) HDAC1NR1H2ESR2MAPK1NAMPT
SCHEMBL25862485 0.79 NR1H2 (0.44) HDAC1NR1H2ESR2MAPK1NAMPT
SCHEMBL28037333 0.79 NR1H2 (0.40) HDAC1NR1H2ESR2MAPK1NAMPT
SCHEMBL17380568 0.79 HDAC1 (0.39) HDAC1NR1H2ESR2MAPK1NAMPT

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 1 patent. 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

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 HDAC1 893/4885NR1H2 4654/4885ESR2 4111/4885

“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.