SCHEMBL9920167

SCHEMBL9920167

CC(C)C1CCN(c2ccc(C#N)cn2)CC1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.47
JAK2 O60674 8/20 0.46
JAK1 P23458 8/20 0.46
JAK3 P52333 8/20 0.46
CHEK1 O14757 1/20 0.46
NTRK1 P04629 1/20 0.46
PRKCA P17252 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46
MAPK10 P53779 1/20 0.46
CCNA1 P78396 1/20 0.46
MAP3K9 P80192 1/20 0.46
PRKCQ Q04759 1/20 0.46
ROCK1 Q13464 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
PANK3 Q9H999 4/20 0.43
DPP4 P27487 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43

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
SCHEMBL9920467 1.00 GPR119 (0.47) GPR119JAK2JAK1JAK3CHEK1
SCHEMBL9920172 1.00 GPR119 (0.47) GPR119JAK2JAK1JAK3CHEK1
SCHEMBL9918327 0.88 JAK2 (0.36) GPR119JAK2JAK1JAK3CHEK1
SCHEMBL9918309 0.88 JAK2 (0.36) GPR119JAK2JAK1JAK3CHEK1
SCHEMBL9918304 0.88 JAK2 (0.36) GPR119JAK2JAK1JAK3CHEK1
SCHEMBL9920476 0.88 GPR119 (0.48) GPR119JAK2JAK1JAK3PANK3
SCHEMBL9920479 0.88 GPR119 (0.48) GPR119JAK2JAK1JAK3PANK3
SCHEMBL9920171 0.84 GPR119 (0.47) GPR119JAK2JAK1JAK3PANK3
SCHEMBL9923214 0.84 GPR119 (0.49) GPR119JAK2JAK1JAK3CHEK1
SCHEMBL12832913 0.81 GRIN2D (0.40) KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-17 US disclosed
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 (3 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
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 GPR119 2712/4885JAK2 1/4885JAK1 2/4885
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 GPR119 2875/4885JAK2 1/4885JAK1 2/4885

“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.