SCHEMBL4286327

SCHEMBL4286327

CN1CC2CC1CN2c1ccc(Nc2nccc(-c3ccc4c(c3)SCC(=O)N4)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.41
JAK2 O60674 9/20 0.40
JAK3 P52333 5/20 0.40
FGFR4 P22455 1/20 0.40
WEE1 P30291 1/20 0.39
JAK1 P23458 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
KIF11 P52732 1/20 0.38
SYK P43405 1/20 0.37
KCNH2 Q12809 1/20 0.37
BRD4 O60885 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL4285574 1.00 TBK1 (0.41) TBK1JAK2JAK3FGFR4WEE1
SCHEMBL4286457 0.90 TBK1 (0.43) TBK1CYP11B1CYP11B2KIF11BRD4
SCHEMBL4277458 0.90 TBK1 (0.43) TBK1CYP11B1CYP11B2KIF11BRD4
SCHEMBL4280664 0.87 TBK1 (0.53) TBK1KIF11BRD4CDK9
SCHEMBL4277199 0.87 TBK1 (0.53) TBK1KIF11BRD4CDK9
SCHEMBL4288817 0.77 FGFR4 (0.42) JAK2JAK3FGFR4WEE1JAK1
SCHEMBL4286238 0.77 FGFR4 (0.42) JAK2JAK3FGFR4WEE1JAK1
SCHEMBL4279644 0.77 TBK1 (0.55) TBK1JAK2BRD4CDK9
SCHEMBL4285417 0.77 TBK1 (0.55) TBK1JAK2BRD4CDK9
SCHEMBL4286131 0.76 FGFR4 (0.43) JAK2JAK3FGFR4WEE1JAK1

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 104/4885JAK2 1/4885JAK3 3/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 211/4885JAK2 1/4885JAK3 3/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 TBK1 225/4885JAK2 1/4885JAK3 3/4885

“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.