SCHEMBL4569221

SCHEMBL4569221

CC(C)C(=O)c1cnc2cccnn12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.44
HSD11B1 P28845 1/20 0.43
KLK7 P49862 1/20 0.41
DYRK1A Q13627 2/20 0.40
SSTR4 P31391 1/20 0.40
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TGFBR1 P36897 3/20 0.37
PDE4A P27815 1/20 0.37
IRAK4 Q9NWZ3 4/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
MGLL Q99685 1/20 0.35
DGAT1 O75907 1/20 0.35
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL1691621 0.84 MKNK1 (0.44) MKNK1HSD11B1KLK7DYRK1ASSTR4
SCHEMBL1691581 0.81 MKNK1 (0.47) MKNK1HSD11B1KLK7DYRK1ASSTR4
SCHEMBL2862103 0.80 MKNK1 (0.49) MKNK1HSD11B1KLK7DYRK1ASSTR4
SCHEMBL454803 0.78 TGFBR1 (0.48) MKNK1HSD11B1KLK7DYRK1ASSTR4
Hydrochloric Acid SCHEMBL30152411 0.78 MKNK1 (0.47) MKNK1HSD11B1KLK7DYRK1ASSTR4
SCHEMBL27922647 0.77 MKNK1 (0.44) MKNK1HSD11B1KLK7DYRK1ASSTR4
SCHEMBL22891212 0.77 HSD11B1 (0.51) MKNK1HSD11B1KLK7DYRK1ASSTR4
SCHEMBL25482774 0.77 IDO1 (0.39) PDE4ADGAT1PDE4BPDE4D
Potassium Ion SCHEMBL31218825 0.77 HSD11B1 (0.47) MKNK1HSD11B1KLK7DYRK1ASSTR4
SCHEMBL25482782 0.75 IRAK4 (0.45) PDE4AIRAK4GPR139PDE4BPDE4D

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-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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 (2 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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB MKNK1 122/4885HSD11B1 1837/4885KLK7 3077/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB MKNK1 122/4885HSD11B1 1837/4885KLK7 3077/4885

“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.