SCHEMBL2055091

SCHEMBL2055091

C[C@@H]1CCCC[C@@H]1n1c(=O)n(Cc2cccc(Cc3ccccc3F)c2)c2cnc3[nH]ccc3c21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.46
JAK1 P23458 16/20 0.46
JAK2 O60674 15/20 0.46
TYK2 P29597 6/20 0.44
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL2104864 0.86 JAK1 (0.56) JAK3JAK1JAK2TYK2
SCHEMBL14628863 0.86 JAK1 (0.44) JAK3JAK1JAK2TYK2ALDH1A1
SCHEMBL2105308 0.85 JAK1 (0.51) JAK3JAK1JAK2TYK2
SCHEMBL2106069 0.85 JAK1 (0.51) JAK3JAK1JAK2TYK2
SCHEMBL2055125 0.83 JAK1 (0.48) JAK3JAK1JAK2TYK2
SCHEMBL2055085 0.83 JAK1 (0.47) JAK3JAK1JAK2TYK2
SCHEMBL2104034 0.83 JAK1 (0.47) JAK3JAK1JAK2TYK2
SCHEMBL2055105 0.83 JAK1 (0.51) JAK3JAK1JAK2TYK2
SCHEMBL2055181 0.83 JAK3 (0.49) JAK3JAK1JAK2TYK2
Hydrochloric Acid SCHEMBL2106292 0.83 JAK1 (0.49) 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.