SCHEMBL2055131

SCHEMBL2055131

C[C@@H]1CCCC[C@@H]1n1c(=O)n(Cc2csc(-c3cccc(Cl)c3)n2)c2cnc3[nH]ccc3c21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.44
JAK1 P23458 11/20 0.44
JAK2 O60674 10/20 0.44
KLKB1 P03952 3/20 0.40
KLK1 P06870 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
LMNA P02545 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TYK2 P29597 3/20 0.35
MCHR1 Q99705 1/20 0.34

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
SCHEMBL14628842 1.00 JAK3 (0.44) JAK3JAK1JAK2KLKB1KLK1
SCHEMBL2055139 0.91 JAK1 (0.47) JAK3JAK1JAK2KLKB1KLK1
SCHEMBL14628888 0.91 JAK1 (0.47) JAK3JAK1JAK2KLKB1KLK1
SCHEMBL2055153 0.91 JAK1 (0.48) JAK3JAK1JAK2KLKB1KLK1
SCHEMBL2055128 0.86 JAK1 (0.47) JAK3JAK1JAK2TYK2
SCHEMBL2055148 0.84 JAK1 (0.45) JAK3JAK1JAK2ADORA2AADORA1
SCHEMBL2055137 0.84 JAK1 (0.51) JAK3JAK1JAK2TYK2
SCHEMBL2055101 0.80 JAK1 (0.47) JAK3JAK1JAK2TYK2
SCHEMBL2055129 0.80 JAK1 (0.48) JAK3JAK1JAK2TYK2
SCHEMBL2055183 0.79 JAK1 (0.52) JAK3JAK1JAK2TYK2

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 JAK3 1/4885JAK1 3/4885JAK2 2/4885

“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.