SCHEMBL2055148

SCHEMBL2055148

C[C@@H]1CCCC[C@@H]1n1c(=O)n(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c2cnc3[nH]ccc3c21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.45
JAK2 O60674 17/20 0.45
JAK3 P52333 14/20 0.45
ADORA3 P0DMS8 1/20 0.38
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
AURKA O14965 1/20 0.38
PRKCA P17252 1/20 0.38
KDR P35968 1/20 0.38
TYK2 P29597 3/20 0.36
TNIK Q9UKE5 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
STAT5A P42229 1/20 0.35

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
SCHEMBL2055128 0.92 JAK1 (0.47) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2055139 0.90 JAK1 (0.47) JAK1JAK2JAK3MAOBADORA2A
SCHEMBL14628888 0.90 JAK1 (0.47) JAK1JAK2JAK3MAOBADORA2A
SCHEMBL2055153 0.90 JAK1 (0.48) JAK1JAK2JAK3TYK2
SCHEMBL2055137 0.85 JAK1 (0.51) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2055131 0.84 JAK3 (0.44) JAK1JAK2JAK3ADORA2AADORA1
SCHEMBL14628842 0.84 JAK3 (0.44) JAK1JAK2JAK3ADORA2AADORA1
SCHEMBL2055108 0.80 JAK1 (0.50) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2105247 0.79 JAK1 (0.57) JAK1JAK2JAK3TYK2
SCHEMBL2104864 0.78 JAK1 (0.56) 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 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.