SCHEMBL4280945

SCHEMBL4280945

COCCN(C)c1ccc(-c2ccnc(Nc3ccc(N4CC5CC4CN5C)c(C)c3)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.42
PAK1 Q13153 1/20 0.41
IKBKB O14920 1/20 0.40
EGFR P00533 3/20 0.38
ITK Q08881 1/20 0.38
JAK1 P23458 4/20 0.37
JAK2 O60674 4/20 0.37
JAK3 P52333 3/20 0.37
BRD4 O60885 2/20 0.37
CDK9 P50750 2/20 0.37
BRAF P15056 1/20 0.37
ABL1 P00519 3/20 0.37
BCR P11274 2/20 0.37
FGFR4 P22455 1/20 0.36
TYK2 P29597 1/20 0.36
CYP3A4 P08684 1/20 0.36
HRH2 P25021 1/20 0.36
CDK7 P50613 1/20 0.36
BTK Q06187 1/20 0.36
CD69 Q07108 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
SCHEMBL4283265 1.00 CDK2 (0.42) CDK2PAK1IKBKBEGFRITK
SCHEMBL4286098 0.89 PAK1 (0.43) CDK2PAK1EGFRJAK1JAK2
SCHEMBL4282165 0.89 PAK1 (0.43) CDK2PAK1EGFRJAK1JAK2
SCHEMBL4281826 0.88 STK17A (0.47) CDK2IKBKBEGFRITKJAK1
SCHEMBL4277132 0.88 STK17A (0.47) CDK2IKBKBEGFRITKJAK1
SCHEMBL4281083 0.83 BRD4 (0.42) CDK2PAK1EGFRJAK1JAK2
SCHEMBL13657918 0.83 BRD4 (0.42) CDK2PAK1EGFRJAK1JAK2
SCHEMBL4281635 0.83 PAK1 (0.42) CDK2PAK1EGFRJAK1JAK2
SCHEMBL4290612 0.83 PAK1 (0.42) CDK2PAK1EGFRJAK1JAK2
SCHEMBL13662000 0.82 BRD4 (0.42) CDK2PAK1EGFRJAK1JAK2

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
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO 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 CDK2 13/4885PAK1 687/4885IKBKB 124/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK2 8/4885PAK1 461/4885IKBKB 171/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK2 6/4885PAK1 458/4885IKBKB 193/4885

“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.