SCHEMBL2054916

SCHEMBL2054916

COc1cc(Cn2c(=O)[nH]c3cnc4[nH]ccc4c32)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.52
JAK3 P52333 14/20 0.52
JAK1 P23458 13/20 0.52
ENPP1 P22413 1/20 0.50
TYK2 P29597 3/20 0.46
BRD4 O60885 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
FYN P06241 1/20 0.45
NUAK1 O60285 1/20 0.43
NTRK1 P04629 1/20 0.43
FLT3 P36888 1/20 0.43
NUAK2 Q9H093 1/20 0.43
BMP2K Q9NSY1 1/20 0.43

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
SCHEMBL2054892 0.87 JAK2 (0.53) JAK2JAK3JAK1ENPP1
SCHEMBL2054905 0.82 JAK2 (0.53) JAK2JAK3JAK1ENPP1TYK2
SCHEMBL2054891 0.82 JAK2 (0.50) JAK2JAK3JAK1ENPP1TYK2
SCHEMBL2054887 0.81 JAK2 (0.56) JAK2JAK3JAK1ENPP1BRD4
SCHEMBL2054899 0.81 JAK2 (0.61) JAK2JAK3JAK1TYK2BRD4
SCHEMBL2054877 0.79 JAK2 (0.56) JAK2JAK3JAK1ENPP1
SCHEMBL2054908 0.78 JAK2 (0.57) JAK2JAK3JAK1TYK2
SCHEMBL2054912 0.78 JAK2 (0.54) JAK2JAK3JAK1ENPP1TYK2
SCHEMBL2054917 0.78 JAK2 (0.54) JAK2JAK3JAK1TYK2
SCHEMBL2054895 0.76 JAK2 (0.50) JAK2JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 US disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 US disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 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-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 JAK2 2/4885JAK3 1/4885JAK1 3/4885

“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.