SCHEMBL2054907

SCHEMBL2054907

O=c1[nH]c2cnc3[nH]ccc3c2n1Cc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.49
JAK1 P23458 11/20 0.49
JAK3 P52333 11/20 0.49
TRAP1 Q12931 2/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90B1 P14625 1/20 0.49
DDR1 Q08345 4/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41

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
SCHEMBL2054883 0.87 JAK2 (0.53) JAK2JAK1JAK3
SCHEMBL2054903 0.82 JAK2 (0.55) JAK2JAK1JAK3
SCHEMBL2054888 0.81 JAK2 (0.52) JAK2JAK1JAK3GRIN1GRIN2B
SCHEMBL2054915 0.81 JAK2 (0.53) JAK2JAK1JAK3GRIN1GRIN2B
SCHEMBL2054901 0.80 JAK2 (0.51) JAK2JAK1JAK3DDR1GRIN1
SCHEMBL2054918 0.80 JAK2 (0.53) JAK2JAK1JAK3TRAP1HSP90AA1
SCHEMBL2054895 0.79 JAK2 (0.50) JAK2JAK1JAK3GRIN1GRIN2B
SCHEMBL2054914 0.79 JAK2 (0.52) JAK2JAK1JAK3
SCHEMBL2054884 0.79 JAK2 (0.53) JAK2JAK1JAK3
SCHEMBL2054906 0.78 JAK2 (0.55) JAK2JAK1JAK3GRIN1GRIN2B

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 2/4885JAK1 3/4885JAK3 1/4885

“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.