SCHEMBL9918323

SCHEMBL9918323

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.37
JAK3 P52333 3/20 0.37
JAK1 P23458 2/20 0.37
GPR119 Q8TDV5 1/20 0.35
KCNH2 Q12809 1/20 0.35
PARP1 P09874 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
MAPT P10636 1/20 0.34
ACACB O00763 6/20 0.34
CHRM2 P08172 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PANK3 Q9H999 1/20 0.33

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
SCHEMBL9918297 1.00 JAK2 (0.37) JAK2JAK3JAK1GPR119KCNH2
SCHEMBL9918305 0.91 EGLN1 (0.38) JAK2JAK3JAK1GPR119KCNH2
SCHEMBL9918321 0.91 EGLN1 (0.38) JAK2JAK3JAK1GPR119KCNH2
SCHEMBL9918301 0.91 EGLN1 (0.38) JAK2JAK3JAK1GPR119KCNH2
SCHEMBL9920171 0.88 GPR119 (0.47) JAK2JAK3JAK1GPR119KCNH2
SCHEMBL9918304 0.84 JAK2 (0.36) JAK2JAK3JAK1GPR119PARP1
SCHEMBL9918327 0.84 JAK2 (0.36) JAK2JAK3JAK1GPR119PARP1
SCHEMBL9918309 0.84 JAK2 (0.36) JAK2JAK3JAK1GPR119PARP1
SCHEMBL12832912 0.81 GRIN2D (0.41) MAPTACACBHRH3
SCHEMBL9918302 0.80 PARP1 (0.42) JAK2JAK3GPR119PARP1MAPT

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.