SCHEMBL12876100

SCHEMBL12876100

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Nc1c(C(=O)O)cnc3[nH]ccc13)C2

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.54
JAK3 P52333 10/20 0.51
JAK2 O60674 8/20 0.51
TYK2 P29597 5/20 0.51
KAT2B Q92831 1/20 0.50

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
SCHEMBL12875910 1.00 JAK1 (0.54) JAK1JAK3JAK2TYK2KAT2B
SCHEMBL12888399 0.92 JAK2 (0.61) JAK1JAK3JAK2TYK2
SCHEMBL12876167 0.92 JAK2 (0.61) JAK1JAK3JAK2TYK2
SCHEMBL29725587 0.91 JAK1 (0.64) JAK1JAK3JAK2TYK2
SCHEMBL12875898 0.88 JAK3 (0.65) JAK1JAK3
SCHEMBL12887692 0.88 JAK3 (0.65) JAK1JAK3
SCHEMBL12875973 0.86 JAK1 (0.49) JAK1JAK3JAK2TYK2KAT2B
SCHEMBL12887786 0.86 JAK1 (0.49) JAK1JAK3JAK2TYK2KAT2B
SCHEMBL12904447 0.86 JAK1 (0.49) JAK1JAK3JAK2TYK2KAT2B
SCHEMBL12888659 0.86 JAK1 (0.49) JAK1JAK3JAK2TYK2KAT2B

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

“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.