SCHEMBL1504474

SCHEMBL1504474

CC(C)(C)C(=O)OCn1ccc2c(-c3cnn(C4(CC#N)COC4)c3)cnnc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.34
JAK1 P23458 12/20 0.34
TYK2 P29597 7/20 0.34
JAK3 P52333 4/20 0.33
RORC P51449 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
SCHEMBL1504475 0.91 JAK2 (0.38) JAK2JAK1TYK2JAK3
SCHEMBL1504400 0.91 JAK2 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL1504359 0.90 JAK2 (0.35) JAK2JAK1TYK2JAK3
SCHEMBL1504362 0.90 JAK2 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL9921776 0.89 JAK2 (0.41) JAK2JAK1TYK2JAK3
SCHEMBL9921773 0.89 JAK2 (0.41) JAK2JAK1TYK2JAK3
SCHEMBL1504434 0.89 JAK2 (0.41) JAK2JAK1TYK2JAK3
SCHEMBL1504514 0.88 JAK2 (0.48) JAK2JAK1TYK2JAK3
SCHEMBL1504435 0.87 JAK1 (0.41) JAK2JAK1TYK2
SCHEMBL9918768 0.80 JAK1 (0.30) JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470537-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-07-04 EP 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
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
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.