SCHEMBL4277302

SCHEMBL4277302

Cc1cc(Nc2nccc(-c3ccc4c(c3)CCCC(=O)N4)n2)ccc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.48
GSK3B P49841 1/20 0.41
PTK2B Q14289 1/20 0.39
PTK2 Q05397 1/20 0.39
MET P08581 2/20 0.39
KIF11 P52732 1/20 0.39
CDK9 P50750 6/20 0.38
BRD4 O60885 5/20 0.38
MAPK1 P28482 2/20 0.37
JAK2 O60674 1/20 0.36
EGFR P00533 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL4280519 1.00 TBK1 (0.48) TBK1GSK3BPTK2BPTK2MET
SCHEMBL4279644 0.92 TBK1 (0.55) TBK1PTK2BPTK2CDK9BRD4
SCHEMBL4285417 0.92 TBK1 (0.55) TBK1PTK2BPTK2CDK9BRD4
SCHEMBL4286850 0.91 TBK1 (0.45) TBK1GSK3BPTK2BPTK2MET
SCHEMBL4277380 0.91 TBK1 (0.45) TBK1GSK3BPTK2BPTK2MET
SCHEMBL4279268 0.90 TBK1 (0.58) TBK1GSK3BPTK2BPTK2MET
SCHEMBL4291946 0.90 TBK1 (0.58) TBK1GSK3BPTK2BPTK2MET
SCHEMBL4277458 0.85 TBK1 (0.43) TBK1KIF11CDK9BRD4EGFR
SCHEMBL4286457 0.85 TBK1 (0.43) TBK1KIF11CDK9BRD4EGFR
SCHEMBL4425261 0.85 PAK1 (0.39) TBK1GSK3BCDK9BRD4JAK2

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 1675/4885GSK3B 1181/4885PTK2B 4507/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 104/4885GSK3B 894/4885PTK2B 55/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 211/4885GSK3B 413/4885PTK2B 26/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 225/4885GSK3B 383/4885PTK2B 25/4885

“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.