SCHEMBL4291946

SCHEMBL4291946

CN1CC2CC1CN2c1ccc(Nc2nccc(-c3ccc4c(c3)CCCC(=O)N4)n2)cc1C#N

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.58
MAP3K14 Q99558 6/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
BRD4 O60885 1/20 0.39
GSK3B P49841 1/20 0.39
PTK2B Q14289 1/20 0.37
PTK2 Q05397 1/20 0.37
MET P08581 2/20 0.37
KIF11 P52732 1/20 0.37
IKBKE Q14164 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
MAPK1 P28482 1/20 0.36
BCL6 P41182 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
SCHEMBL4279268 1.00 TBK1 (0.58) TBK1MAP3K14CCNA2CDK2CCNA1
SCHEMBL4280519 0.90 TBK1 (0.48) TBK1BRD4GSK3BPTK2BPTK2
SCHEMBL4277302 0.90 TBK1 (0.48) TBK1BRD4GSK3BPTK2BPTK2
SCHEMBL4277199 0.86 TBK1 (0.53) TBK1MAP3K14CCNA2CDK2CCNA1
SCHEMBL4280664 0.86 TBK1 (0.53) TBK1MAP3K14CCNA2CDK2CCNA1
SCHEMBL4284697 0.82 TBK1 (0.48) TBK1MAP3K14CCNA2CDK2CCNA1
SCHEMBL4283408 0.82 TBK1 (0.48) TBK1MAP3K14CCNA2CDK2CCNA1
SCHEMBL4279644 0.81 TBK1 (0.55) TBK1CCNA2CDK2CCNA1BRD4
SCHEMBL4285417 0.81 TBK1 (0.55) TBK1CCNA2CDK2CCNA1BRD4
SCHEMBL4286850 0.81 TBK1 (0.45) TBK1BRD4GSK3BPTK2BPTK2

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 7 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-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 (3 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-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 104/4885MAP3K14 61/4885CCNA2 308/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 211/4885MAP3K14 81/4885CCNA2 273/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 225/4885MAP3K14 83/4885CCNA2 291/4885

“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.