SCHEMBL4279934

SCHEMBL4279934

Cc1cc(Nc2nccc(-c3ccc4c(c3)OC(C)(C)C(=O)N4)n2)ccc1N1C[C@@H]2C[C@H]1CN2S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.37
TBK1 Q9UHD2 1/20 0.37
JAK1 P23458 1/20 0.37
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
BRD4 O60885 8/20 0.36
CDK9 P50750 4/20 0.36
SYK P43405 1/20 0.35
EGFR P00533 2/20 0.34
JAK2 O60674 4/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL4278220 1.00 JAK3 (0.37) JAK3TBK1JAK1CLK1CLK2
SCHEMBL4286938 0.91 BRD4 (0.40) JAK3TBK1JAK1CLK1CLK2
SCHEMBL4282180 0.91 BRD4 (0.40) JAK3TBK1JAK1CLK1CLK2
SCHEMBL4289327 0.90 JAK3 (0.35) JAK3JAK1CLK1CLK2DYRK1A
SCHEMBL4276992 0.90 JAK3 (0.35) JAK3JAK1CLK1CLK2DYRK1A
SCHEMBL4284707 0.84 JAK3 (0.38) JAK3JAK1BRD4CDK9SYK
SCHEMBL4282420 0.84 JAK3 (0.38) JAK3JAK1BRD4CDK9SYK
SCHEMBL4277380 0.82 TBK1 (0.45) JAK3TBK1BRD4CDK9EGFR
SCHEMBL4286850 0.82 TBK1 (0.45) JAK3TBK1BRD4CDK9EGFR
SCHEMBL4279773 0.82 BRD4 (0.34) JAK3JAK1CLK1CLK2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICAL, INC. (US) 2013-01-17 US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 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 (4 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 JAK3 4792/4885TBK1 1675/4885JAK1 4796/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK3 3/4885TBK1 104/4885JAK1 2/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK3 3/4885TBK1 211/4885JAK1 2/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK3 3/4885TBK1 225/4885JAK1 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.