SCHEMBL10325519

SCHEMBL10325519

CC(C)(C)OC(=O)N1CCN(c2ncnc3c2CCN3)CC12CC2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.52
RET P07949 1/20 0.40
AKT1S1 Q96B36 5/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
KIT P10721 1/20 0.36

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
SCHEMBL31599864 0.84 JAK3 (0.43) JAK3RETAKT1S1AKT1
SCHEMBL10324896 0.84 JAK3 (0.43) JAK3RET
SCHEMBL1046253 0.77 JAK3 (0.82) JAK3
SCHEMBL10325843 0.76 JAK3 (0.41) JAK3AKT1S1AKT1AKT2AKT3
SCHEMBL1049750 0.76 JAK3 (0.56) JAK3AKT1S1AKT1
SCHEMBL2796064 0.76 KIT (0.49) AKT1S1KIT
SCHEMBL31600727 0.76 JAK3 (0.38) JAK3RETAKT1S1AKT1
SCHEMBL1050203 0.75 JAK3 (0.55) JAK3AKT1
SCHEMBL31302493 0.75 JAK3 (0.52) JAK3RETKIT
SCHEMBL31713625 0.75 GPR119 (0.52) JAK3RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 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-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS JAK1, JAK2, JAK3 JAK3 3/4885RET 5/4885AKT1S1 1359/4885

“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.