SCHEMBL9921769

SCHEMBL9921769

CCOC(=O)c1ccn(COCc2ccccc2)c1/N=N/C(C(=O)OCC)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOTUM Q6P988 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL12832721 0.84 TSHR (0.42) TSHRCRHBPCRHR2MAPTSMN1; SMN2
SCHEMBL9918730 0.81 MAOB (0.36) MAPTSMN1; SMN2L3MBTL1ALDH1A1MAPK1
SCHEMBL127772 0.78 TSHR (0.43) TSHRCRHBPCRHR2MAPTSMN1; SMN2
SCHEMBL9918732 0.78 ALDH1A1 (0.47) TSHRCRHBPCRHR2MAPTSMN1; SMN2
SCHEMBL130676 0.76 TSHR (0.43) TSHRCRHBPCRHR2SMN1; SMN2L3MBTL1
SCHEMBL9918734 0.73 TSHR (0.43) TSHRCRHBPCRHR2MAPTSMN1; SMN2
SCHEMBL16415457 0.71 TSHR (0.48) TSHRCRHBPCRHR2MAPTSMN1; SMN2
SCHEMBL16640636 0.68 TSHR (0.43) TSHRCRHBPCRHR2MAPTSMN1; SMN2
SCHEMBL554285 0.67 NOTUM (0.70) TSHRCRHBPCRHR2MAPTSMN1; SMN2
SCHEMBL13198428 0.66 SLC1A1 (0.56) L3MBTL1LMNAKMT2AMEN1MMP8

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 2 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
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 TSHR 2606/4885CRHBP 4254/4885CRHR2 3381/4885

“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.