SCHEMBL4286850

SCHEMBL4286850

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.45
KIF11 P52732 1/20 0.38
GSK3B P49841 1/20 0.38
PKM P14618 1/20 0.37
PTK2B Q14289 2/20 0.37
MET P08581 2/20 0.37
EGFR P00533 2/20 0.36
JAK2 O60674 5/20 0.35
JAK3 P52333 4/20 0.35
PTK2 Q05397 2/20 0.35
BRD4 O60885 2/20 0.35
CDK9 P50750 2/20 0.35
ULK1 O75385 1/20 0.35

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
SCHEMBL4277380 1.00 TBK1 (0.45) TBK1KIF11GSK3BPKMPTK2B
SCHEMBL4277302 0.91 TBK1 (0.48) TBK1KIF11GSK3BPKMPTK2B
SCHEMBL4280519 0.91 TBK1 (0.48) TBK1KIF11GSK3BPKMPTK2B
SCHEMBL4284700 0.86 EGFR (0.35) TBK1GSK3BEGFRJAK2JAK3
SCHEMBL4281158 0.86 EGFR (0.35) TBK1GSK3BEGFRJAK2JAK3
SCHEMBL4278220 0.82 JAK3 (0.37) TBK1EGFRJAK2JAK3BRD4
SCHEMBL4279934 0.82 JAK3 (0.37) TBK1EGFRJAK2JAK3BRD4
SCHEMBL4279644 0.82 TBK1 (0.55) TBK1PTK2BEGFRJAK2PTK2
SCHEMBL4285417 0.82 TBK1 (0.55) TBK1PTK2BEGFRJAK2PTK2
SCHEMBL4291946 0.81 TBK1 (0.58) TBK1KIF11GSK3BPTK2BMET

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 TBK1 1675/4885KIF11 2171/4885GSK3B 1181/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 104/4885KIF11 2986/4885GSK3B 894/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 211/4885KIF11 2723/4885GSK3B 413/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 225/4885KIF11 2673/4885GSK3B 383/4885

“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.