SCHEMBL9920436

SCHEMBL9920436

[C-]#[N+]c1cnn2cccc2c1N(C)C1CN(Cc2ccccc2)CCC1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.45
TYK2 P29597 3/20 0.45
JAK3 P52333 3/20 0.45
JAK2 O60674 2/20 0.45
ACHE P22303 3/20 0.36
EED O75530 1/20 0.35
DRD4 P21917 7/20 0.34
DRD3 P35462 7/20 0.34
ALDH1A1 P00352 1/20 0.33
BCHE P06276 3/20 0.33
BACE1 P56817 2/20 0.33
CCR3 P51677 1/20 0.33
DRD2 P14416 3/20 0.32
HTR1A P08908 1/20 0.32
DRD1 P21728 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 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
SCHEMBL9920321 1.00 JAK1 (0.45) JAK1TYK2JAK3JAK2ACHE
SCHEMBL9898496 0.84 JAK1 (0.47) JAK1TYK2JAK3JAK2ACHE
SCHEMBL9923315 0.84 JAK1 (0.47) JAK1TYK2JAK3JAK2ACHE
SCHEMBL9923340 0.84 JAK3 (0.45) JAK1TYK2JAK3JAK2ACHE
SCHEMBL9920438 0.82 JAK2 (0.46) JAK1TYK2JAK3JAK2
SCHEMBL9920437 0.80 JAK2 (0.50) JAK1TYK2JAK3JAK2ACHE
SCHEMBL9920435 0.79 ACHE (0.36) JAK1TYK2JAK3JAK2ACHE
SCHEMBL12395231 0.78 JAK3 (0.60) JAK1TYK2JAK3JAK2ACHE
SCHEMBL12395222 0.73 JAK3 (0.54) JAK1TYK2JAK3JAK2ACHE
SCHEMBL12395224 0.73 JAK3 (0.52) JAK1TYK2JAK3JAK2ACHE

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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 JAK1 1/4885TYK2 10/4885JAK3 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.