SCHEMBL12876340

SCHEMBL12876340

NC(=O)c1cnc2[nH]ccc2c1N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.80
JAK2 O60674 17/20 0.73
JAK3 P52333 16/20 0.73
TYK2 P29597 11/20 0.73

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
SCHEMBL12875985 1.00 JAK1 (0.80) JAK1JAK2JAK3TYK2
SCHEMBL12876092 0.92 JAK1 (0.83) JAK1JAK2JAK3TYK2
SCHEMBL12876804 0.91 JAK2 (0.68) JAK1JAK2JAK3TYK2
SCHEMBL29725672 0.89 JAK1 (1.00) JAK1JAK2JAK3TYK2
SCHEMBL24628058 0.89 JAK1 (1.00) JAK1JAK2JAK3TYK2
SCHEMBL12876364 0.88 JAK1 (0.63) JAK1JAK2JAK3TYK2
SCHEMBL12876494 0.87 JAK1 (0.77) JAK1JAK2JAK3TYK2
SCHEMBL12888753 0.87 JAK1 (0.77) JAK1JAK2JAK3TYK2
SCHEMBL12876812 0.86 JAK2 (0.66) JAK1JAK2JAK3TYK2
SCHEMBL12876274 0.85 JAK2 (0.65) JAK1JAK2JAK3TYK2

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.