SCHEMBL4280905

SCHEMBL4280905

Cc1cc(Nc2nccc(-c3cnc4c(c3)OCCN4)n2)ccc1N1CC2CC1CN2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.38
DYRK1A Q13627 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
CLK2 P49760 1/20 0.38
PAK1 Q13153 1/20 0.37
CDK2 P24941 5/20 0.36
CDK4 P11802 3/20 0.36
GSK3B P49841 3/20 0.36
ACVR1 Q04771 1/20 0.36
BRD4 O60885 5/20 0.36
CDK9 P50750 2/20 0.36
JAK2 O60674 2/20 0.36
BRDT Q58F21 1/20 0.36
CHRNA7 P36544 2/20 0.35
KCNH2 Q12809 2/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
CCNA2 P20248 1/20 0.34

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
SCHEMBL4278412 1.00 CLK1 (0.38) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL4277140 0.92 JAK2 (0.40) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL4286540 0.92 JAK2 (0.40) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL4277448 0.89 CCNA2 (0.46) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL4277866 0.89 CCNA2 (0.46) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL4290677 0.88 PAK1 (0.39) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL4284672 0.88 PAK1 (0.39) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL4281751 0.86 CLK1 (0.38) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL4278001 0.86 CLK1 (0.38) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL4284581 0.83 PAK1 (0.39) CLK1DYRK1ACLK4DYRK1BCLK2

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 CLK1 836/4885DYRK1A 254/4885CLK4 1184/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CLK1 516/4885DYRK1A 152/4885CLK4 699/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CLK1 492/4885DYRK1A 137/4885CLK4 689/4885

“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.