SCHEMBL2148287

SCHEMBL2148287

C[C@@H]1CCN(c2ncnc3cccn23)C[C@@H]1N(C)c1ncnc2cccn12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.33
JAK2 O60674 6/20 0.33
JAK1 P23458 5/20 0.33
TYK2 P29597 3/20 0.33
PKN2 Q16513 1/20 0.32
AURKB Q96GD4 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
MAPK10 P53779 1/20 0.31

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
SCHEMBL1851197 0.79 JAK3 (0.56) JAK3JAK2JAK1TYK2
SCHEMBL1850260 0.76 IRAK4 (0.40) JAK3IRAK4MAPK10
SCHEMBL1853474 0.74 JAK3 (0.34) JAK3JAK2JAK1TYK2PKN2
SCHEMBL12395134 0.57 STAT3 (0.48) JAK3JAK2JAK1TYK2
SCHEMBL2148393 0.57 IRAK4 (0.38) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4062262 0.56 JAK3 (0.65) JAK3JAK2JAK1TYK2PKN2
SCHEMBL1396029 0.56 KDM4E (0.40) AURKB
SCHEMBL19153750 0.56 ADORA3 (0.38) AURKB
Hydrochloric Acid SCHEMBL15754750 0.54 HRH4 (0.43) IRAK4
SCHEMBL400666 0.53 ADORA3 (0.38) AURKBIRAK4

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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885JAK2 2/4885JAK1 3/4885

“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.