SCHEMBL2104034

SCHEMBL2104034

C[C@@H]1CCCC[C@@H]1n1c(=O)n(Cc2cccc(OCc3ccccc3)c2)c2cnc3[nH]ccc3c21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.47
JAK2 O60674 12/20 0.47
JAK3 P52333 11/20 0.47
TYK2 P29597 5/20 0.41
PRKDC P78527 2/20 0.39
MTOR P42345 1/20 0.39
ROCK2 O75116 2/20 0.39
TNIK Q9UKE5 1/20 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
SCHEMBL2055125 0.93 JAK1 (0.48) JAK1JAK2JAK3TYK2PRKDC
SCHEMBL2055080 0.92 JAK1 (0.49) JAK1JAK2JAK3TYK2PRKDC
Hydrochloric Acid SCHEMBL2106292 0.90 JAK1 (0.49) JAK1JAK2JAK3TYK2ROCK2
SCHEMBL2104864 0.89 JAK1 (0.56) JAK1JAK2JAK3TYK2
SCHEMBL2106069 0.88 JAK1 (0.51) JAK1JAK2JAK3TYK2
SCHEMBL2055092 0.87 JAK1 (0.45) JAK1JAK2JAK3TYK2ROCK2
SCHEMBL2105308 0.86 JAK1 (0.51) JAK1JAK2JAK3TYK2
SCHEMBL2055085 0.86 JAK1 (0.47) JAK1JAK2JAK3TYK2
SCHEMBL2055181 0.84 JAK3 (0.49) JAK1JAK2JAK3TYK2TNIK
SCHEMBL2102277 0.83 JAK1 (0.48) JAK1JAK2JAK3TYK2PRKDC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
EP-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 EP disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 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 (1 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-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 JAK1 3/4885JAK2 2/4885JAK3 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.