SCHEMBL9920375

SCHEMBL9920375

[C-]#[N+]c1cnn2nccc2c1NC1CCCCC1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
JAK3 P52333 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 4/20 0.33
TAS1R2 Q8TE23 4/20 0.33
GBA1 P04062 1/20 0.32
LATS1 O95835 3/20 0.31
LATS2 Q9NRM7 3/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK14 Q16539 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
SCHEMBL9920414 0.83 TSHR (0.35) TSHRL3MBTL1JAK3JAK2JAK1
SCHEMBL9923308 0.83 TAS1R3 (0.37) TSHRL3MBTL1JAK3JAK2JAK1
SCHEMBL9920329 0.81 TSHR (0.35) TSHRL3MBTL1JAK3JAK2JAK1
SCHEMBL9920322 0.81 TSHR (0.35) TSHRL3MBTL1JAK3JAK2JAK1
SCHEMBL9920445 0.80 JAK2 (0.43) TSHRL3MBTL1JAK3JAK2JAK1
SCHEMBL9920361 0.80 JAK2 (0.43) TSHRL3MBTL1JAK3JAK2JAK1
SCHEMBL9920446 0.80 JAK2 (0.43) TSHRL3MBTL1JAK3JAK2JAK1
SCHEMBL9923310 0.79 JAK1 (0.35) TSHRL3MBTL1JAK3JAK2JAK1
SCHEMBL9920374 0.79 TSHR (0.33) TSHRL3MBTL1JAK3JAK2JAK1
SCHEMBL9920425 0.79 JAK3 (0.34) TSHRL3MBTL1JAK3JAK2JAK1

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 TSHR 2870/4885L3MBTL1 4461/4885JAK3 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.