SCHEMBL2054885

SCHEMBL2054885

O=c1[nH]c2cnc3[nH]ccc3c2n1Cc1ccc2c(c1)OCCO2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.53
JAK3 P52333 16/20 0.53
JAK1 P23458 15/20 0.53
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP3K11 Q16584 1/20 0.40

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
SCHEMBL2054912 0.81 JAK2 (0.54) JAK2JAK3JAK1
SCHEMBL2054899 0.80 JAK2 (0.61) JAK2JAK3JAK1SMN1; SMN2
SCHEMBL2054908 0.79 JAK2 (0.57) JAK2JAK3JAK1KMT2A
SCHEMBL2054917 0.79 JAK2 (0.54) JAK2JAK3JAK1MEN1USP2
SCHEMBL2054889 0.79 JAK2 (0.50) JAK2JAK3JAK1
SCHEMBL2054887 0.78 JAK2 (0.56) JAK2JAK3JAK1
SCHEMBL2054877 0.76 JAK2 (0.56) JAK2JAK3JAK1
SCHEMBL2054892 0.76 JAK2 (0.53) JAK2JAK3JAK1
SCHEMBL2054916 0.74 JAK2 (0.52) JAK2JAK3JAK1
SCHEMBL2054856 0.74 JAK2 (0.56) JAK2JAK3JAK1MEN1KMT2A

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-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

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.