SCHEMBL16629090

SCHEMBL16629090

CC(C)(C)OC(=O)N[C@H]1CCN(c2ccnc(Cl)n2)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.55
BTK Q06187 1/20 0.55
PDE10A Q9Y233 2/20 0.54
MAP4K4 O95819 2/20 0.54
SUV39H2 Q9H5I1 11/20 0.54
CKS1B P61024 1/20 0.52
SKP1 P63208 1/20 0.52
SKP2 Q13309 1/20 0.52
EIF2AK4 Q9P2K8 2/20 0.51
SYK P43405 1/20 0.51

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
SCHEMBL28219652 1.00 JAK3 (0.55) JAK3BTKPDE10AMAP4K4SUV39H2
SCHEMBL1588740 1.00 JAK3 (0.55) JAK3BTKPDE10AMAP4K4SUV39H2
SCHEMBL15434052 0.94 BTK (0.63) JAK3BTKPDE10AMAP4K4SUV39H2
SCHEMBL3370146 0.93 CKS1B (0.59) JAK3BTKPDE10AMAP4K4SUV39H2
SCHEMBL1427784 0.91 EIF2AK4 (0.54) JAK3BTKPDE10AMAP4K4SUV39H2
SCHEMBL18228315 0.88 PDE10A (0.55) JAK3BTKPDE10AMAP4K4SUV39H2
SCHEMBL16620599 0.87 MAP4K4 (0.59) JAK3BTKPDE10AMAP4K4SUV39H2
SCHEMBL16620602 0.87 MAP4K4 (0.59) JAK3BTKPDE10AMAP4K4SUV39H2
SCHEMBL16629154 0.86 CCNC (0.62) PDE10AMAP4K4
SCHEMBL7386934 0.83 BTK (0.51) JAK3BTKPDE10AMAP4K4SUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
WO-2015049325-A1 THERAPEUTIC INHIBITORS OF CDK8 AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2015-04-09 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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 JAK3 1064/4885BTK 784/4885PDE10A 4424/4885

“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.