SCHEMBL9920404

SCHEMBL9920404

[C-]#[N+]c1cnn2cnnc2c1NC1CCCCC1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9920387 0.82 JAK3 (0.34) JAK2JAK1JAK3ALDH1A1TSHR
SCHEMBL9920374 0.80 TSHR (0.33) JAK2JAK1JAK3ALDH1A1TSHR
SCHEMBL9920432 0.79 TSHR (0.34) JAK2JAK1JAK3HPGDALDH1A1
SCHEMBL9923345 0.79 PKM (0.36) JAK2JAK1JAK3ALDH1A1TSHR
SCHEMBL9923341 0.78 JAK3 (0.40) JAK2JAK1JAK3HPGDALDH1A1
SCHEMBL9920425 0.78 JAK3 (0.34) JAK2JAK1JAK3ALDH1A1TSHR
SCHEMBL9920258 0.77 JAK3 (0.51) JAK2JAK1JAK3TSHRMEN1
SCHEMBL9920256 0.77 JAK3 (0.39) JAK2JAK1JAK3ALDH1A1TSHR
SCHEMBL9920446 0.77 JAK2 (0.43) JAK2JAK1JAK3TSHRL3MBTL1
SCHEMBL9920361 0.77 JAK2 (0.43) JAK2JAK1JAK3TSHRL3MBTL1

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 JAK2 2/4885JAK1 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.