SCHEMBL12876388

SCHEMBL12876388

OCc1cnc2[nH]ccc2c1N[C@H]1[C@@H]2CC3C[C@H]1C[C@@](O)(C3)C2

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.68
JAK2 O60674 13/20 0.68
JAK3 P52333 12/20 0.68
TYK2 P29597 6/20 0.68
HSD11B1 P28845 5/20 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
SCHEMBL16199903 1.00 JAK1 (0.68) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL12887764 0.90 JAK1 (0.70) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL12876805 0.90 JAK1 (0.70) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL12875975 0.90 JAK1 (0.70) JAK1JAK2JAK3TYK2HSD11B1
Hydrochloric Acid SCHEMBL1154954 0.89 JAK1 (0.68) JAK1JAK2JAK3TYK2HSD11B1
Hydrochloric Acid SCHEMBL1154951 0.89 JAK1 (0.68) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL4446789 0.86 JAK1 (0.67) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL12888823 0.85 JAK1 (0.72) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL12876688 0.84 JAK1 (0.70) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL12876652 0.84 JAK1 (0.70) JAK1JAK2JAK3TYK2HSD11B1

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-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2011-02-17 US disclosed
US-7879844-B2 useful for treating or preventing diseases caused by undesirable cytokine signal transmission such as autoimmune diseases, inflammatory diseases, allergies, transplant rejection, multiple sclerosis, arthritis, psoriasis, asthma, dermatitis, Alzheimer's disease, atherosclerosis, cancer and leukemia ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-7879844-B2 useful for treating or preventing diseases caused by undesirable cytokine signal transmission such as autoimmune diseases, inflammatory diseases, allergies, transplant rejection, multiple sclerosis, arthritis, psoriasis, asthma, dermatitis, Alzheimer's disease, atherosclerosis, cancer and leukemia ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-29 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 (2 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-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK1, JAK2 JAK1 2/4885JAK2 3/4885JAK3 1/4885
US-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK1, IRAK3 JAK1 2/4885JAK2 4/4885JAK3 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.