SCHEMBL9918787

SCHEMBL9918787

CCOC(C)n1cc(-c2nnnc3c2c(C(N)=O)cn3Cc2ccccc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
CD274 Q9NZQ7 1/20 0.37
ADRA1D P25100 3/20 0.35
MAP3K5 Q99683 3/20 0.34
SYK P43405 1/20 0.33
P2RX7 Q99572 1/20 0.33
PLA2G2A P14555 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL12832878 0.86 JAK2 (0.41) JAK2JAK1TYK2JAK3CD274
SCHEMBL9894094 0.82 JAK2 (0.39) JAK2JAK1TYK2JAK3CD274
SCHEMBL12067323 0.66 JAK2 (0.41) JAK2JAK1TYK2JAK3CD274
SCHEMBL9980551 0.66 JAK2 (0.46) JAK2JAK1TYK2JAK3CD274
SCHEMBL12066103 0.65 CD274 (0.39) JAK2JAK1TYK2JAK3CD274
SCHEMBL12066107 0.64 CD274 (0.40) JAK2JAK1TYK2JAK3CD274
SCHEMBL9918681 0.64 ADRA1D (0.43) ADRA1DP2RX7PLA2G2ACCNCCDK8
SCHEMBL12066261 0.63 JAK2 (0.46) JAK2JAK1TYK2JAK3CD274
SCHEMBL12066104 0.62 JAK1 (0.41) JAK2JAK1TYK2JAK3CD274
SCHEMBL12067327 0.62 JAK1 (0.41) JAK2JAK1TYK2JAK3CD274

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 JAK2 1/4885JAK1 2/4885TYK2 51/4885

“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.