SCHEMBL2055100

SCHEMBL2055100

COc1c(C)cnc(Cn2c(=O)n([C@H]3CCCC[C@H]3C)c3c4cc[nH]c4ncc32)c1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.49
JAK2 O60674 16/20 0.49
JAK3 P52333 15/20 0.49
TYK2 P29597 6/20 0.40
NUAK1 O60285 1/20 0.40
NTRK1 P04629 1/20 0.40
FLT3 P36888 1/20 0.40
NUAK2 Q9H093 1/20 0.40
BMP2K Q9NSY1 1/20 0.40
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 3/20 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
SCHEMBL2055081 0.82 JAK1 (0.52) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL2055110 0.82 JAK1 (0.49) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL2055106 0.81 JAK1 (0.52) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL2055177 0.81 JAK1 (0.51) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL2055093 0.81 JAK1 (0.51) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL2055107 0.80 JAK1 (0.45) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL2055102 0.80 JAK1 (0.49) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL2104864 0.80 JAK1 (0.56) JAK1JAK2JAK3TYK2
SCHEMBL2104694 0.80 JAK1 (0.56) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL2105247 0.79 JAK1 (0.57) JAK1JAK2JAK3TYK2

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 JAK1 3/4885JAK2 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.