SCHEMBL4286540

SCHEMBL4286540

CN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3cnc4c(c3)OCCN4)n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
ALOX5AP P20292 6/20 0.39
FEN1 P39748 6/20 0.39
PAK1 Q13153 1/20 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
CDK2 P24941 4/20 0.37
CCNA2 P20248 3/20 0.37
CCNA1 P78396 3/20 0.37
ACVR1 Q04771 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
CDK4 P11802 3/20 0.36
CSF1R P07333 1/20 0.36
CDK6 Q00534 1/20 0.36
BRAF P15056 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
SCHEMBL4277140 1.00 JAK2 (0.40) JAK2JAK3ALOX5APFEN1PAK1
SCHEMBL4280905 0.92 CLK1 (0.38) JAK2JAK3PAK1CLK1CLK2
SCHEMBL4278412 0.92 CLK1 (0.38) JAK2JAK3PAK1CLK1CLK2
SCHEMBL4277866 0.90 CCNA2 (0.46) JAK2JAK3CLK1CLK2DYRK1A
SCHEMBL4277448 0.90 CCNA2 (0.46) JAK2JAK3CLK1CLK2DYRK1A
SCHEMBL4286127 0.86 JAK2 (0.41) JAK2JAK3PAK1CLK1CLK2
SCHEMBL4282381 0.86 JAK2 (0.41) JAK2JAK3PAK1CLK1CLK2
SCHEMBL4281739 0.84 PAK1 (0.40) JAK2JAK3PAK1CLK1CLK2
SCHEMBL4278534 0.84 PAK1 (0.40) JAK2JAK3PAK1CLK1CLK2
SCHEMBL4284725 0.84 PAK1 (0.40) JAK2JAK3PAK1CLK1CLK2

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 4792/4885ALOX5AP 3375/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885ALOX5AP 3801/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885ALOX5AP 3403/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885ALOX5AP 3395/4885

“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.