SCHEMBL9920171

SCHEMBL9920171

CC(C)[C@H]1CN(c2ccc(C#N)cn2)CC[C@H]1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.47
JAK2 O60674 5/20 0.47
JAK1 P23458 5/20 0.47
JAK3 P52333 5/20 0.47
KCNH2 Q12809 1/20 0.45
PANK3 Q9H999 6/20 0.44
CHRM2 P08172 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
TYK2 P29597 3/20 0.42
SMO Q99835 2/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL9920479 0.91 GPR119 (0.48) GPR119JAK2JAK1JAK3KCNH2
SCHEMBL9920476 0.91 GPR119 (0.48) GPR119JAK2JAK1JAK3KCNH2
SCHEMBL9918297 0.88 JAK2 (0.37) GPR119JAK2JAK1JAK3KCNH2
SCHEMBL9918323 0.88 JAK2 (0.37) GPR119JAK2JAK1JAK3KCNH2
SCHEMBL9920172 0.84 GPR119 (0.47) GPR119JAK2JAK1JAK3KCNH2
SCHEMBL9920467 0.84 GPR119 (0.47) GPR119JAK2JAK1JAK3KCNH2
SCHEMBL9920167 0.84 GPR119 (0.47) GPR119JAK2JAK1JAK3KCNH2
SCHEMBL9923214 0.82 GPR119 (0.49) GPR119JAK2JAK1JAK3KCNH2
SCHEMBL16478649 0.81 KDM4E (0.54) GPR119JAK2JAK1JAK3KCNH2
SCHEMBL12683422 0.81 KDM4E (0.54) GPR119JAK2JAK1JAK3KCNH2

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 GPR119 4381/4885JAK2 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.