SCHEMBL12424401

SCHEMBL12424401

CCC1CCN(C(=O)CC#N)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.40
JAK1 P23458 7/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
IRAK4 Q9NWZ3 4/20 0.39
JAK3 P52333 13/20 0.39
LCK P06239 1/20 0.39
RET P07949 1/20 0.39
PRKACA P17612 1/20 0.39
LTK P29376 1/20 0.39
KDR P35968 1/20 0.39
GSK3A P49840 1/20 0.39
PRKX P51817 1/20 0.39
ROCK1 Q13464 1/20 0.39
PKN2 Q16513 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CAMK1D Q8IU85 1/20 0.39
TYK2 P29597 2/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL30497410 1.00 JAK2 (0.40) JAK2JAK1DPP8DPP7IRAK4
SCHEMBL24456492 1.00 JAK2 (0.40) JAK2JAK1DPP8DPP7IRAK4
SCHEMBL12424603 0.90 JAK3 (0.46) JAK2JAK1IRAK4JAK3TYK2
SCHEMBL12424943 0.90 ALDH1A1 (0.43) JAK2JAK1IRAK4JAK3LCK
SCHEMBL12424315 0.86 ALDH1A1 (0.39) JAK2JAK1IRAK4JAK3LCK
SCHEMBL12425835 0.84 ALDH1A1 (0.40) JAK2JAK1JAK3TYK2KCNH2
SCHEMBL16478691 0.81 JAK3 (0.43) JAK2JAK1JAK3LCKRET
SCHEMBL12683327 0.81 JAK3 (0.43) JAK2JAK1JAK3LCKRET
SCHEMBL16015437 0.80 CHRNB2 (0.46) DPP8DPP7MEN1ALDH1A1MAPT
SCHEMBL25633195 0.80 CHRNB2 (0.46) DPP8DPP7MEN1ALDH1A1MAPT

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
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 JAK2 122/4885JAK1 434/4885DPP8 4561/4885

“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.