SCHEMBL2054852

SCHEMBL2054852

O=c1[nH]c2cnc3[nH]ccc3c2n1CCc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.53
JAK3 P52333 12/20 0.53
JAK1 P23458 11/20 0.53
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
UBE2N P61088 1/20 0.44
GPR18 Q14330 1/20 0.42
HTR2A P28223 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TYK2 P29597 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL2104594 0.84 JAK2 (0.58) JAK2JAK3JAK1RAB9ANPC1
SCHEMBL2054923 0.84 JAK2 (0.53) JAK2JAK3JAK1TYK2
SCHEMBL2054855 0.80 JAK2 (0.56) JAK2JAK3JAK1TYK2
SCHEMBL2054873 0.79 JAK2 (0.55) JAK2JAK3JAK1TYK2
SCHEMBL2054857 0.77 JAK2 (0.53) JAK2JAK3JAK1TYK2
SCHEMBL2054899 0.77 JAK2 (0.61) JAK2JAK3JAK1ALDH1A1SMN1; SMN2
SCHEMBL14628869 0.77 JAK2 (0.55) JAK2JAK3JAK1TYK2
SCHEMBL2054863 0.76 JAK2 (0.54) JAK2JAK3JAK1ALDH1A1TYK2
SCHEMBL2054886 0.75 JAK2 (0.58) JAK2JAK3JAK1TYK2
SCHEMBL2054867 0.75 JAK2 (0.58) JAK2JAK3JAK1TYK2

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.