SCHEMBL16709102

SCHEMBL16709102

CC(C)(C)OC(=O)N1Cc2c(C(N)=O)c(I)cn2C2(COC2)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.34
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL16709104 0.83 NR1H2 (0.35) NR1H2GPR119JAK2JAK1
SCHEMBL16709110 0.79 NR1H2 (0.34) NR1H2USP2SMN1; SMN2IRAK4JAK2
SCHEMBL16709101 0.77 CSNK1E (0.36) GPR119
SCHEMBL16709105 0.69 GPR119 (0.34) NR1H2GPR119
SCHEMBL16709106 0.69 NR1H2 (0.38) NR1H2GPR119
SCHEMBL16728881 0.68 CSNK1E (0.44)
SCHEMBL16709107 0.65 NR1H2 (0.35) NR1H2GPR119JAK2JAK1
SCHEMBL16711291 0.62 CSNK1E (0.43)
SCHEMBL4040395 0.62 CSNK1E (0.47) NR1H2GPR119
SCHEMBL19031193 0.61 USP2 (0.42) NR1H2USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 US disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 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-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 NR1H2 3799/4885USP2 1865/4885SMN1; SMN2 4098/4885

“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.