SCHEMBL2054876

SCHEMBL2054876

O=c1[nH]c2cnc3[nH]ccc3c2n1Cc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.56
JAK3 P52333 12/20 0.56
JAK1 P23458 11/20 0.56
BRD4 O60885 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
BRD2 P25440 1/20 0.48
BRD3 Q15059 1/20 0.48
GRIN1 Q05586 7/20 0.47
GRIN2B Q13224 7/20 0.47

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
SCHEMBL2054899 0.85 JAK2 (0.61) JAK2JAK3JAK1BRD4CYP3A4
SCHEMBL14628869 0.81 JAK2 (0.55) JAK2JAK3JAK1
SCHEMBL2054903 0.81 JAK2 (0.55) JAK2JAK3JAK1
SCHEMBL2054902 0.81 JAK2 (0.55) JAK2JAK3JAK1GRIN1GRIN2B
SCHEMBL2054871 0.81 JAK2 (0.58) JAK2JAK3JAK1
SCHEMBL2054863 0.80 JAK2 (0.54) JAK2JAK3JAK1
SCHEMBL2054856 0.79 JAK2 (0.56) JAK2JAK3JAK1
SCHEMBL2054915 0.79 JAK2 (0.53) JAK2JAK3JAK1GRIN1GRIN2B
SCHEMBL2104594 0.79 JAK2 (0.58) 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 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.