SCHEMBL9920405

SCHEMBL9920405

[C-]#[N+]c1cnn2c(C(=O)O)nnc2c1NC1CCCCC1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TSHR P16473 6/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.33
ALDH1A1 P00352 5/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
USP2 O75604 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9920403 0.86 OPRK1 (0.37) JAK3JAK2JAK1TSHRHTT
SCHEMBL9923326 0.84 TSHR (0.42) JAK3JAK2JAK1TSHRHTT
SCHEMBL9923426 0.81 TSHR (0.38) JAK3JAK2JAK1TSHRHTT
SCHEMBL9920400 0.79 TSHR (0.33) JAK3JAK2JAK1TSHRHTT
SCHEMBL9920411 0.79 JAK3 (0.35) JAK3JAK2JAK1TSHRHTT
SCHEMBL9920404 0.76 JAK2 (0.32) JAK3JAK2JAK1TSHRHTT
SCHEMBL9920432 0.76 TSHR (0.34) JAK3JAK2JAK1TSHRHTT
SCHEMBL9920425 0.74 JAK3 (0.34) JAK3JAK2JAK1TSHRHTT
SCHEMBL9920387 0.74 JAK3 (0.34) JAK3JAK2JAK1TSHRHTT
SCHEMBL9920374 0.72 TSHR (0.33) JAK3JAK2JAK1TSHRL3MBTL1

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 JAK3 3/4885JAK2 2/4885JAK1 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.