SCHEMBL4278534

SCHEMBL4278534

CN1C[C@H]2C[C@@H]1CN2c1ccc(Nc2nccc(-c3cnc4c(c3)OC(C)(C)C(=O)N4)n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 2/20 0.40
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
BRD4 O60885 7/20 0.38
SYK P43405 4/20 0.38
CDK2 P24941 5/20 0.37
CDK1 P06493 2/20 0.37
CDKL1 Q00532 2/20 0.37
IKBKB O14920 2/20 0.37
CHUK O15111 2/20 0.37
BMPR1B O00238 1/20 0.37
CDC7 O00311 1/20 0.37
PIK3CD O00329 1/20 0.37
PLK4 O00444 1/20 0.37
STK25 O00506 1/20 0.37
CIT O14578 1/20 0.37
RIOK3 O14730 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
GAK O14976 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
SCHEMBL4284725 1.00 PAK1 (0.40) PAK1JAK2JAK3BRD4SYK
SCHEMBL4281739 1.00 PAK1 (0.40) PAK1JAK2JAK3BRD4SYK
SCHEMBL4284314 0.92 PAK1 (0.39) PAK1JAK2JAK3BRD4SYK
SCHEMBL4284581 0.92 PAK1 (0.39) PAK1JAK2JAK3BRD4SYK
SCHEMBL4291726 0.92 PAK1 (0.39) PAK1JAK2JAK3BRD4SYK
SCHEMBL4279808 0.91 JAK2 (0.39) PAK1JAK2JAK3BRD4SYK
SCHEMBL4286534 0.91 JAK2 (0.39) PAK1JAK2JAK3BRD4SYK
SCHEMBL4291910 0.90 JAK2 (0.40) JAK2JAK3SYKFGFR4JAK1
SCHEMBL4286450 0.90 JAK2 (0.40) JAK2JAK3SYKFGFR4JAK1
SCHEMBL4277401 0.89 TBK1 (0.41) PAK1JAK2JAK3BRD4TBK1

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 PAK1 2246/4885JAK2 4729/4885JAK3 4792/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 PAK1 687/4885JAK2 1/4885JAK3 3/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 PAK1 461/4885JAK2 1/4885JAK3 3/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 PAK1 458/4885JAK2 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.