SCHEMBL9923283

SCHEMBL9923283

CC1CCCCC1Nc1c(C(=O)O)cnn2cncc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.41
JAK2 O60674 14/20 0.41
JAK1 P23458 14/20 0.41
TYK2 P29597 13/20 0.41
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9920248 0.90 JAK2 (0.53) JAK3JAK2JAK1TYK2
SCHEMBL1160258 0.85 JAK2 (0.58) JAK3JAK2JAK1TYK2
SCHEMBL9920245 0.85 JAK3 (0.40) JAK3JAK2JAK1TYK2
SCHEMBL9923341 0.81 JAK3 (0.40) JAK3JAK2JAK1TYK2TSHR
SCHEMBL9923043 0.79 JAK3 (0.43) JAK3JAK2JAK1TYK2TSHR
SCHEMBL9923291 0.78 JAK3 (0.42) JAK3JAK2JAK1TYK2TSHR
SCHEMBL9920374 0.78 TSHR (0.33) JAK3JAK2JAK1TSHRL3MBTL1
SCHEMBL9923279 0.78 JAK1 (0.39) JAK3JAK2JAK1TYK2TSHR
SCHEMBL9920373 0.77 JAK2 (0.33) JAK3JAK2JAK1TSHRL3MBTL1
SCHEMBL9923326 0.77 TSHR (0.42) JAK3JAK2JAK1TYK2TSHR

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.