SCHEMBL9921765

SCHEMBL9921765

CN(C)C(=O)CCOc1ccc(Nc2c(C(N)=O)nnc3[nH]ccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 8/20 0.40
TTBK2 Q6IQ55 8/20 0.40
ADAMTS5 Q9UNA0 1/20 0.38
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
EGFR P00533 2/20 0.34
AURKB Q96GD4 1/20 0.34
JAK3 P52333 4/20 0.33
BTK Q06187 4/20 0.33
LCK P06239 3/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
JAK2 O60674 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL9918542 0.90 TTBK1 (0.37) TTBK1TTBK2ADAMTS5EGFRAURKB
SCHEMBL12832974 0.83 TTBK1 (0.39) TTBK1TTBK2ADAMTS5CCNCCDK8
SCHEMBL9918523 0.80 MAPT (0.41) TTBK1TTBK2EGFRAURKBMAPT
SCHEMBL9918524 0.74 TTBK1 (0.41) TTBK1TTBK2CSF1RLRRK2
SCHEMBL9918517 0.72 RET (0.35) TTBK1TTBK2EGFRAURKBJAK2
SCHEMBL9921743 0.71 PDE3B (0.37) CCNCCDK8JAK3PDE3BPDE3A
SCHEMBL12832928 0.69 LRRK2 (0.45) JAK3BTKJAK2LRRK2
SCHEMBL12833305 0.69 NOTUM (0.40) TTBK1TTBK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL9918529 0.69 JAK1 (0.34) TTBK1TTBK2JAK3JAK2
SCHEMBL9921764 0.69 MEN1 (0.40) MEN1NPC1CYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 WO 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 TTBK1 597/4885TTBK2 854/4885ADAMTS5 2114/4885

“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.