SCHEMBL9918327

SCHEMBL9918327

C#Cc1ccc(N2CCC(C(C)C)C(F)C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.36
JAK3 P52333 4/20 0.36
JAK1 P23458 3/20 0.36
CHEK1 O14757 1/20 0.36
NTRK1 P04629 1/20 0.36
PRKCA P17252 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
MAPK10 P53779 1/20 0.36
CCNA1 P78396 1/20 0.36
MAP3K9 P80192 1/20 0.36
PRKCQ Q04759 1/20 0.36
ROCK1 Q13464 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
PARP1 P09874 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34

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
SCHEMBL9918304 1.00 JAK2 (0.36) JAK2JAK3JAK1CHEK1NTRK1
SCHEMBL9918309 1.00 JAK2 (0.36) JAK2JAK3JAK1CHEK1NTRK1
SCHEMBL9920167 0.88 GPR119 (0.47) JAK2JAK3JAK1CHEK1NTRK1
SCHEMBL9920172 0.88 GPR119 (0.47) JAK2JAK3JAK1CHEK1NTRK1
SCHEMBL9920467 0.88 GPR119 (0.47) JAK2JAK3JAK1CHEK1NTRK1
SCHEMBL9918321 0.88 EGLN1 (0.38) JAK2JAK3JAK1GPR119PARP1
SCHEMBL9918301 0.88 EGLN1 (0.38) JAK2JAK3JAK1GPR119PARP1
SCHEMBL9918305 0.88 EGLN1 (0.38) JAK2JAK3JAK1GPR119PARP1
SCHEMBL9918297 0.84 JAK2 (0.37) JAK2JAK3JAK1GPR119PARP1
SCHEMBL9918323 0.84 JAK2 (0.37) JAK2JAK3JAK1GPR119PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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 JAK2 2/4885JAK3 3/4885JAK1 1/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 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.