SCHEMBL9894094

SCHEMBL9894094

CCOC(C)n1cc(-c2nnnc3c2c(C#N)cn3Cc2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
MAP3K5 Q99683 2/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RET P07949 3/20 0.33
KDM5A P29375 2/20 0.33
P2RX7 Q99572 1/20 0.32
MCL1 Q07820 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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 0.87 JAK2 (0.41) JAK2JAK1TYK2JAK3MAP3K5
SCHEMBL9918787 0.82 JAK2 (0.40) JAK2JAK1TYK2JAK3MAP3K5
SCHEMBL12832990 0.70 ALDH1A1 (0.49) MEN1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL9958444 0.69 ALDH1A1 (0.48) MEN1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL1504513 0.69 MEN1 (0.48) MEN1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL1504526 0.69 SMN1; SMN2 (0.41) MEN1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL1504348 0.67 MEN1 (0.42) MEN1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL9980521 0.66 TYK2 (0.45) JAK2JAK1TYK2JAK3MAP3K5
SCHEMBL12066110 0.62 JAK2 (0.40) JAK2JAK1TYK2JAK3MAP3K5
SCHEMBL4481874 0.62 KDM4E (0.48) MEN1ALDH1A1TSHRKMT2ASMN1; 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 4 patents. 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
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 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-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.