SCHEMBL4286127

SCHEMBL4286127

CN1CCOc2cc(-c3ccnc(Nc4ccc(N5C[C@@H]6C[C@H]5CN6C)c(F)c4)n3)cnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
CDK4 P11802 6/20 0.39
CSF1R P07333 4/20 0.39
CDK6 Q00534 4/20 0.39
PIK3CD O00329 3/20 0.39
CCNA2 P20248 5/20 0.38
CDK2 P24941 5/20 0.38
CCNA1 P78396 5/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PAK1 Q13153 1/20 0.37
PIM1 P11309 2/20 0.37
CCND3 P30281 2/20 0.37
GSK3B P49841 2/20 0.37
ACVR1 Q04771 1/20 0.37
EGFR P00533 3/20 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
SCHEMBL4282381 1.00 JAK2 (0.41) JAK2JAK3CDK4CSF1RCDK6
SCHEMBL4281751 0.92 CLK1 (0.38) JAK2JAK3CDK4CCNA2CDK2
SCHEMBL4278001 0.92 CLK1 (0.38) JAK2JAK3CDK4CCNA2CDK2
SCHEMBL4280491 0.89 JAK2 (0.41) JAK2JAK3CLK1CLK2DYRK1A
SCHEMBL4276903 0.89 JAK2 (0.41) JAK2JAK3CLK1CLK2DYRK1A
SCHEMBL4286540 0.86 JAK2 (0.40) JAK2JAK3CDK4CSF1RCDK6
SCHEMBL4277140 0.86 JAK2 (0.40) JAK2JAK3CDK4CSF1RCDK6
SCHEMBL4281711 0.86 JAK2 (0.36) JAK2JAK3CDK4CDK2CLK1
SCHEMBL4282194 0.86 JAK2 (0.36) JAK2JAK3CDK4CDK2CLK1
SCHEMBL4279783 0.84 JAK2 (0.49) JAK2JAK3CCNA2CDK2CCNA1

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
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 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 (4 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 JAK2 4729/4885JAK3 4792/4885CDK4 845/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885CDK4 274/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885CDK4 113/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885CDK4 123/4885

“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.