SCHEMBL12876643

SCHEMBL12876643

NC(=O)c1cnc2[nH]ccc2c1N[C@H]1C[C@H]2CC[C@@H]1C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 1.00
JAK3 P52333 19/20 1.00
JAK1 P23458 16/20 1.00
TYK2 P29597 5/20 0.63
KCNH2 Q12809 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
SCHEMBL4443726 1.00 JAK2 (1.00) JAK2JAK3JAK1TYK2KCNH2
SCHEMBL4443723 1.00 JAK2 (1.00) JAK2JAK3JAK1TYK2KCNH2
SCHEMBL12876085 1.00 JAK2 (1.00) JAK2JAK3JAK1TYK2KCNH2
SCHEMBL13670093 0.94 JAK2 (0.89) JAK2JAK3JAK1TYK2
SCHEMBL12876611 0.90 JAK1 (0.82) JAK2JAK3JAK1TYK2
SCHEMBL12887732 0.90 JAK1 (0.82) JAK2JAK3JAK1TYK2
SCHEMBL12904207 0.86 JAK2 (0.76) JAK2JAK3JAK1TYK2KCNH2
SCHEMBL12875892 0.83 JAK1 (0.71) JAK2JAK3JAK1
SCHEMBL12888258 0.83 JAK2 (1.00) JAK2JAK3JAK1TYK2
SCHEMBL16199898 0.83 JAK2 (1.00) JAK2JAK3JAK1TYK2

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.