SCHEMBL9923050

SCHEMBL9923050

C[C@@H]1CCCC[C@@H]1Nc1c(C#N)cnn2cc(N=O)cc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.36
TYK2 P29597 4/20 0.36
JAK3 P52333 11/20 0.33
JAK2 O60674 4/20 0.33
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RET P07949 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
KCNH2 Q12809 1/20 0.30
CDK2 P24941 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL9923304 1.00 JAK1 (0.36) JAK1TYK2JAK3JAK2TSHR
SCHEMBL9923264 1.00 JAK1 (0.36) JAK1TYK2JAK3JAK2TSHR
SCHEMBL9923090 0.86 JAK1 (0.43) JAK1TYK2JAK3JAK2MEN1
SCHEMBL9898399 0.82 MEN1 (0.35) JAK1TYK2JAK3JAK2MEN1
SCHEMBL1160384 0.82 MEN1 (0.35) JAK1TYK2JAK3JAK2MEN1
SCHEMBL1160113 0.82 MEN1 (0.35) JAK1TYK2JAK3JAK2MEN1
SCHEMBL9923042 0.80 JAK3 (0.51) JAK1TYK2JAK3JAK2KCNH2
SCHEMBL9923312 0.80 JAK3 (0.51) JAK1TYK2JAK3JAK2KCNH2
SCHEMBL9923347 0.80 JAK3 (0.51) JAK1TYK2JAK3JAK2KCNH2
SCHEMBL9923433 0.79 JAK1 (0.35) JAK1TYK2JAK3JAK2TSHR

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 JAK1 1/4885TYK2 10/4885JAK3 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.