SCHEMBL302168

SCHEMBL302168

CCCS(=O)(=O)c1cccc(Nc2nc(N)ncc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.46
SYK P43405 3/20 0.46
ROCK1 Q13464 3/20 0.46
EGFR P00533 3/20 0.46
BTK Q06187 2/20 0.46
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
DCLK1 O15075 1/20 0.46
PDPK1 O15530 1/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
CHEK2 O96017 1/20 0.46
ABL1 P00519 1/20 0.46
ERBB2 P04626 1/20 0.46
NTRK1 P04629 1/20 0.46

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
SCHEMBL309663 0.84 JAK3 (0.49) JAK3SYKROCK1EGFRBTK
SCHEMBL270524 0.83 JAK1 (0.53) JAK3SYKROCK1EGFRBTK
SCHEMBL309668 0.82 TNNI3K (0.61) EGFRTNNI3K
SCHEMBL301265 0.80 JAK1 (0.60) JAK3SYKROCK1EGFRBTK
SCHEMBL10260824 0.76 BRD4 (0.57) JAK3SYKROCK1EGFRBTK
Hydrochloric Acid SCHEMBL263808 0.76 BRD4 (0.49) JAK3JAK2RETWEE1FLT3
SCHEMBL270717 0.75 BRD4 (0.79) JAK3JAK2RETWEE1FLT3
Hydrochloric Acid SCHEMBL3454036 0.75 BRD4 (0.77) JAK3JAK2RETWEE1FLT3
SCHEMBL29695687 0.73 BCL6 (0.66) JAK3SYKROCK1EGFRBTK
SCHEMBL1319424 0.73 BCL6 (0.66) JAK3SYKROCK1EGFRBTK

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-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK JAK3 4/4885SYK 59/4885ROCK1 1345/4885

“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.