SCHEMBL9923291

SCHEMBL9923291

CC1CCCCC1Nc1c(C(=O)O)cnn2ccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.42
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ZAP70 P43403 1/20 0.38
SYK P43405 1/20 0.38
HSD11B1 P28845 2/20 0.38
KDM4E B2RXH2 1/20 0.37
TAS1R3 Q7RTX0 4/20 0.37
TAS1R1 Q7RTX1 4/20 0.37
TAS1R2 Q8TE23 4/20 0.37
IRAK4 Q9NWZ3 3/20 0.36
TYK2 P29597 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9920257 0.90 JAK3 (0.53) JAK3JAK2JAK1HSD17B10TSHR
SCHEMBL9920260 0.85 JAK3 (0.41) JAK3JAK2JAK1HSD17B10TSHR
SCHEMBL9923341 0.82 JAK3 (0.40) JAK3JAK2JAK1HSD17B10TSHR
SCHEMBL9923349 0.81 JAK3 (0.43) JAK3JAK2JAK1HSD17B10TSHR
SCHEMBL9923406 0.80 ZAP70 (0.41) JAK3JAK2JAK1TSHRZAP70
SCHEMBL1160258 0.80 JAK2 (0.58) JAK3JAK2JAK1TYK2
SCHEMBL9920387 0.79 JAK3 (0.34) JAK3JAK2JAK1HSD17B10TSHR
SCHEMBL9923283 0.78 JAK3 (0.41) JAK3JAK2JAK1HSD17B10TSHR
SCHEMBL9920385 0.78 CDK2 (0.43) JAK3JAK2JAK1HSD17B10TSHR
SCHEMBL9923326 0.78 TSHR (0.42) JAK3JAK2JAK1HSD17B10TSHR

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 2 patents. 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
WO-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 WO 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.