SCHEMBL9921743

SCHEMBL9921743

CN(C)C(=O)CCOc1ccc(-n2c(=O)[nH]c3nnc4[nH]ccc4c32)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.37
PDE3A Q14432 6/20 0.37
P2RY12 Q9H244 4/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
JAK3 P52333 3/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
CACNA2D1 P54289 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
PDE2A O00408 4/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL9918531 0.89 PDE2A (0.32) PDE3BPDE3AP2RY12JAK3JAK2
SCHEMBL9921765 0.71 TTBK1 (0.40) PDE3BPDE3AP2RY12CCNCCDK8
SCHEMBL9921741 0.69 ESR1 (0.38) JAK3JAK2JAK1TYK2ALDH1A1
SCHEMBL12832974 0.69 TTBK1 (0.39) PDE3BPDE3AP2RY12CCNCCDK8
SCHEMBL9921664 0.68 MAP3K11 (0.41) JAK3JAK2JAK1TYK2ALDH1A1
SCHEMBL9918533 0.67 MAP3K11 (0.41) JAK3JAK2JAK1TYK2ALDH1A1
SCHEMBL9918534 0.67 TSHR (0.35) JAK3JAK2JAK1TYK2ALDH1A1
SCHEMBL22434609 0.64 LTA4H (0.49) CCNCCDK8PDK2
SCHEMBL9923069 0.64 L3MBTL1 (0.66) CCNCCDK8HTTPDK2
SCHEMBL9918551 0.62 MAP3K11 (0.35) JAK3JAK2JAK1TYK2

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 PDE3B 1021/4885PDE3A 1414/4885P2RY12 2527/4885

“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.