SCHEMBL4280684

SCHEMBL4280684

Cc1cc(Nc2nccc(-c3ccc(NC(=O)CN4CCOCC4)nc3)n2)ccc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.45
DYRK1A Q13627 12/20 0.45
WNT1 P04628 3/20 0.43
JAK2 O60674 7/20 0.43
JAK3 P52333 4/20 0.43
EGFR P00533 1/20 0.42
PTK2 Q05397 1/20 0.42

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
SCHEMBL4285481 1.00 GSK3B (0.45) GSK3BDYRK1AWNT1JAK2JAK3
SCHEMBL4279801 0.92 JAK2 (0.51) GSK3BDYRK1AWNT1JAK2JAK3
SCHEMBL4280982 0.92 JAK2 (0.51) GSK3BDYRK1AWNT1JAK2JAK3
SCHEMBL4282477 0.91 GSK3B (0.43) GSK3BDYRK1AWNT1JAK2JAK3
SCHEMBL4276942 0.91 GSK3B (0.43) GSK3BDYRK1AWNT1JAK2JAK3
SCHEMBL4288797 0.90 JAK2 (0.50) JAK2JAK3
SCHEMBL4279822 0.90 JAK2 (0.50) JAK2JAK3
SCHEMBL4277039 0.87 PAK1 (0.42) GSK3BDYRK1AWNT1JAK2JAK3
SCHEMBL4278009 0.87 PAK1 (0.42) GSK3BDYRK1AWNT1JAK2JAK3
SCHEMBL4290885 0.87 JAK2 (0.44) GSK3BDYRK1AWNT1JAK2JAK3

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 GSK3B 1181/4885DYRK1A 4636/4885WNT1 4015/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 GSK3B 894/4885DYRK1A 254/4885WNT1 2019/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 GSK3B 413/4885DYRK1A 152/4885WNT1 2007/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 GSK3B 383/4885DYRK1A 137/4885WNT1 2058/4885

“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.