SCHEMBL9918448

SCHEMBL9918448

CCC1(N2CCC(C)C(n3nc(N)c4nnc5[nH]ccc5c43)C2)COC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 4/20 0.33
JAK2 O60674 12/20 0.33
JAK3 P52333 12/20 0.33
JAK1 P23458 11/20 0.33
TYK2 P29597 4/20 0.33
ALKBH5 Q6P6C2 2/20 0.32

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
SCHEMBL9918449 0.80 JAK2 (0.46) JAK2JAK3JAK1TYK2
SCHEMBL9918450 0.79 JAK3 (0.46) JAK2JAK3JAK1TYK2
SCHEMBL12832702 0.77 JAK3 (0.46) JAK2JAK3JAK1TYK2
SCHEMBL12833308 0.74 JAK3 (0.59) JAK2JAK3JAK1TYK2
SCHEMBL9918456 0.74 JAK3 (0.59) JAK2JAK3JAK1TYK2
SCHEMBL9918462 0.74 JAK2 (0.47) JAK2JAK3JAK1TYK2
SCHEMBL9918452 0.73 JAK3 (0.47) JAK2JAK3JAK1TYK2
SCHEMBL9918571 0.72 JAK3 (0.37) JAK2JAK3JAK1
SCHEMBL9918570 0.71 JAK3 (0.39) JAK2JAK3JAK1TYK2
SCHEMBL9918572 0.71 JAK3 (0.41) JAK2JAK3JAK1

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 FTO 3882/4885JAK2 1/4885JAK3 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.