SCHEMBL4286534

SCHEMBL4286534

CN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3cnc4c(c3)OC(C)(C)C(=O)N4)n2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
BRD4 O60885 9/20 0.36
SLC2A1 P11166 1/20 0.36
CDK9 P50750 7/20 0.36
SYK P43405 2/20 0.36
PAK1 Q13153 1/20 0.36
CLK1 P49759 2/20 0.34
DYRK1A Q13627 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
CLK2 P49760 1/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
PIM1 P11309 1/20 0.34
CDK4 P11802 1/20 0.34
CCND3 P30281 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
SCHEMBL4279808 1.00 JAK2 (0.39) JAK2JAK3JAK1TYK2BRD4
SCHEMBL4284314 0.92 PAK1 (0.39) JAK2JAK3JAK1TYK2BRD4
SCHEMBL4291726 0.92 PAK1 (0.39) JAK2JAK3JAK1TYK2BRD4
SCHEMBL4284581 0.92 PAK1 (0.39) JAK2JAK3JAK1TYK2BRD4
SCHEMBL4281739 0.91 PAK1 (0.40) JAK2JAK3JAK1TYK2BRD4
SCHEMBL4284725 0.91 PAK1 (0.40) JAK2JAK3JAK1TYK2BRD4
SCHEMBL4278534 0.91 PAK1 (0.40) JAK2JAK3JAK1TYK2BRD4
SCHEMBL4285219 0.91 BRD4 (0.34) JAK2JAK3JAK1BRD4SLC2A1
SCHEMBL4279773 0.91 BRD4 (0.34) JAK2JAK3JAK1BRD4SLC2A1
SCHEMBL4291910 0.90 JAK2 (0.40) JAK2JAK3JAK1TYK2SYK

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 4792/4885JAK1 4796/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885

“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.