SCHEMBL4285277

SCHEMBL4285277

CCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.41
SYK P43405 4/20 0.41
ABL1 P00519 3/20 0.40
BCR P11274 2/20 0.40
JAK2 O60674 7/20 0.40
TYK2 P29597 1/20 0.40
PLK1 P53350 1/20 0.39
JAK3 P52333 3/20 0.39
FYN P06241 2/20 0.38
MELK Q14680 1/20 0.38
ABL2 P42684 1/20 0.38

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
SCHEMBL4286844 1.00 MKNK1 (0.41) MKNK1SYKABL1BCRJAK2
SCHEMBL4282476 0.87 ZAP70 (0.50) JAK2TYK2JAK3
SCHEMBL4277261 0.87 ZAP70 (0.50) JAK2TYK2JAK3
SCHEMBL4285773 0.85 TYK2 (0.46) ABL1BCRJAK2TYK2PLK1
SCHEMBL4282107 0.85 TYK2 (0.46) ABL1BCRJAK2TYK2PLK1
SCHEMBL4286567 0.83 JAK2 (0.48) MKNK1SYKABL1BCRJAK2
SCHEMBL4291701 0.83 JAK2 (0.48) MKNK1SYKABL1BCRJAK2
SCHEMBL4287660 0.83 TYK2 (0.46) JAK2TYK2
SCHEMBL4284440 0.83 TYK2 (0.46) JAK2TYK2
SCHEMBL4280684 0.82 GSK3B (0.45) JAK2JAK3

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 MKNK1 1371/4885SYK 4857/4885ABL1 4030/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 MKNK1 246/4885SYK 36/4885ABL1 9/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 MKNK1 255/4885SYK 39/4885ABL1 5/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 MKNK1 253/4885SYK 46/4885ABL1 5/4885

“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.