SCHEMBL2106309

SCHEMBL2106309

O=c1[nH]c2cnc3[nH]ccc3c2n1Cc1ccccc1OC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
JAK2 O60674 14/20 0.50
JAK3 P52333 14/20 0.50
JAK1 P23458 13/20 0.50
AKT2 P31751 1/20 0.44
HSD17B13 Q7Z5P4 1/20 0.43
DPP4 P27487 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL2054905 0.87 JAK2 (0.53) BRD4JAK2JAK3JAK1
SCHEMBL2054915 0.85 JAK2 (0.53) JAK2JAK3JAK1
SCHEMBL2054902 0.83 JAK2 (0.55) JAK2JAK3JAK1
SCHEMBL2054903 0.81 JAK2 (0.55) JAK2JAK3JAK1
SCHEMBL14628869 0.81 JAK2 (0.55) JAK2JAK3JAK1
SCHEMBL2054863 0.80 JAK2 (0.54) JAK2JAK3JAK1
SCHEMBL2054899 0.79 JAK2 (0.61) BRD4JAK2JAK3JAK1
SCHEMBL2054897 0.79 JAK2 (0.53) JAK2JAK3JAK1
SCHEMBL2054901 0.79 JAK2 (0.51) JAK2JAK3JAK1
SCHEMBL2054922 0.78 JAK2 (0.53) 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 2 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-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 BRD4 128/4885JAK2 2/4885JAK3 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.