SCHEMBL9921988

SCHEMBL9921988

CC1CCCCC1Nc1c(C(N)=O)nnc2[nH]ccc12

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.67
JAK2 O60674 8/20 0.67
JAK1 P23458 5/20 0.67
KCNH2 Q12809 3/20 0.42
SYK P43405 3/20 0.42
TYK2 P29597 1/20 0.39
BUB1 O43683 1/20 0.39
PAK4 O96013 1/20 0.39
ROS1 P08922 1/20 0.39
AXL P30530 1/20 0.39
ZAP70 P43403 1/20 0.39
IRAK1 P51617 1/20 0.39
MERTK Q12866 1/20 0.39
SLK Q9H2G2 1/20 0.39
PAK6 Q9NQU5 1/20 0.39
PAK5 Q9P286 1/20 0.39
MAP3K2 Q9Y2U5 1/20 0.39
PDGFRA P16234 1/20 0.37
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL9918473 1.00 JAK3 (0.67) JAK3JAK2JAK1KCNH2SYK
SCHEMBL9918475 1.00 JAK3 (0.67) JAK3JAK2JAK1KCNH2SYK
SCHEMBL9918563 0.88 JAK3 (0.58) JAK3JAK2JAK1KCNH2SYK
SCHEMBL9918564 0.88 JAK3 (0.58) JAK3JAK2JAK1KCNH2SYK
SCHEMBL9918565 0.88 JAK3 (0.58) JAK3JAK2JAK1KCNH2SYK
SCHEMBL9918660 0.81 JAK3 (0.57) JAK3JAK2JAK1TYK2
SCHEMBL2105134 0.81 JAK2 (1.00) JAK3JAK2JAK1KCNH2TYK2
SCHEMBL2105933 0.81 JAK2 (1.00) JAK3JAK2JAK1KCNH2TYK2
SCHEMBL9918489 0.81 JAK3 (0.68) JAK3JAK2JAK1TYK2
SCHEMBL9918567 0.80 JAK3 (0.51) JAK3JAK2JAK1TYK2

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 JAK3 3/4885JAK2 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.