SCHEMBL12876115

SCHEMBL12876115

O=c1[nH]c2cnc3[nH]cnc3c2n1C1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.36
JAK3 P52333 14/20 0.36
JAK1 P23458 13/20 0.36
HSD11B1 P28845 6/20 0.36
TYK2 P29597 3/20 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
SCHEMBL12888017 0.87 JAK2 (0.35) JAK2JAK3JAK1HSD11B1
SCHEMBL12888718 0.82 JAK2 (0.57) JAK2JAK3JAK1TYK2
SCHEMBL12888720 0.82 JAK2 (0.57) JAK2JAK3JAK1TYK2
SCHEMBL12888723 0.82 JAK2 (0.57) JAK2JAK3JAK1TYK2
SCHEMBL1154152 0.82 JAK2 (0.57) JAK2JAK3JAK1TYK2
SCHEMBL12876796 0.80 JAK2 (0.33) JAK2JAK3JAK1
SCHEMBL1154244 0.80 TYRO3 (0.35) JAK2JAK3JAK1HSD11B1TYK2
SCHEMBL12888838 0.79 JAK2 (0.32) JAK2JAK3JAK1TYK2
SCHEMBL12888065 0.78 JAK2 (0.36) JAK2JAK3JAK1
SCHEMBL12904232 0.77 JAK2 (0.42) JAK2JAK3JAK1

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 JAK2 3/4885JAK3 1/4885JAK1 2/4885
US-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK1, IRAK3 JAK2 4/4885JAK3 1/4885JAK1 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.