SCHEMBL4277199

SCHEMBL4277199

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.53
BRD4 O60885 5/20 0.42
IKBKE Q14164 6/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
MAP3K14 Q99558 4/20 0.37
CDK9 P50750 3/20 0.37
KIF11 P52732 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
SCHEMBL4280664 1.00 TBK1 (0.53) TBK1BRD4IKBKECCNA2CDK2
SCHEMBL4277458 0.90 TBK1 (0.43) TBK1BRD4CDK9KIF11
SCHEMBL4286457 0.90 TBK1 (0.43) TBK1BRD4CDK9KIF11
SCHEMBL4285574 0.87 TBK1 (0.41) TBK1BRD4CDK9KIF11
SCHEMBL4286327 0.87 TBK1 (0.41) TBK1BRD4CDK9KIF11
SCHEMBL4291946 0.86 TBK1 (0.58) TBK1BRD4IKBKECCNA2CDK2
SCHEMBL4279268 0.86 TBK1 (0.58) TBK1BRD4IKBKECCNA2CDK2
SCHEMBL4284697 0.83 TBK1 (0.48) TBK1BRD4IKBKECCNA2CDK2
SCHEMBL4283408 0.83 TBK1 (0.48) TBK1BRD4IKBKECCNA2CDK2
SCHEMBL4279644 0.77 TBK1 (0.55) TBK1BRD4CCNA2CDK2CCNA1

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 104/4885BRD4 251/4885IKBKE 112/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 211/4885BRD4 468/4885IKBKE 145/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 225/4885BRD4 535/4885IKBKE 159/4885

“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.