SCHEMBL2054902

SCHEMBL2054902

O=c1[nH]c2cnc3[nH]ccc3c2n1Cc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.55
JAK3 P52333 15/20 0.55
JAK1 P23458 14/20 0.55
TYK2 P29597 1/20 0.46
TNIK Q9UKE5 1/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 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
SCHEMBL2054897 0.91 JAK2 (0.53) JAK2JAK3JAK1TYK2
SCHEMBL2054915 0.87 JAK2 (0.53) JAK2JAK3JAK1GRIN1GRIN2B
SCHEMBL2054921 0.87 JAK2 (0.53) JAK2JAK3JAK1TYK2
SCHEMBL2054910 0.87 JAK2 (0.53) JAK2JAK3JAK1TNIKGRIN1
SCHEMBL14628869 0.86 JAK2 (0.55) JAK2JAK3JAK1TYK2
SCHEMBL2054906 0.86 JAK2 (0.55) JAK2JAK3JAK1GRIN1GRIN2B
SCHEMBL2054903 0.86 JAK2 (0.55) JAK2JAK3JAK1MEN1ALDH1A1
SCHEMBL2054918 0.86 JAK2 (0.53) JAK2JAK3JAK1TYK2GRIN1
SCHEMBL2054863 0.85 JAK2 (0.54) JAK2JAK3JAK1TYK2TSHR
SCHEMBL2054904 0.85 JAK2 (0.54) JAK2JAK3JAK1TYK2GRIN1

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.