SCHEMBL2055137

SCHEMBL2055137

Cc1nc(Cn2c(=O)n([C@H]3CCCC[C@H]3C)c3c4cc[nH]c4ncc32)cs1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.51
JAK2 O60674 18/20 0.51
JAK3 P52333 14/20 0.51
AURKA O14965 1/20 0.40
PRKCA P17252 1/20 0.40
KDR P35968 1/20 0.40
TYK2 P29597 2/20 0.39
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 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
SCHEMBL2055153 0.88 JAK1 (0.48) JAK1JAK2JAK3TYK2
SCHEMBL2055139 0.87 JAK1 (0.47) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL14628888 0.87 JAK1 (0.47) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2055128 0.87 JAK1 (0.47) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2055148 0.85 JAK1 (0.45) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2055131 0.84 JAK3 (0.44) JAK1JAK2JAK3TYK2
SCHEMBL14628842 0.84 JAK3 (0.44) JAK1JAK2JAK3TYK2
SCHEMBL2055147 0.84 JAK1 (0.42) JAK1JAK2JAK3TYK2
SCHEMBL2102017 0.83 JAK1 (0.52) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2105392 0.83 JAK1 (0.53) JAK1JAK2JAK3TYK2PDE1C

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 4 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

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.