SCHEMBL4281091

SCHEMBL4281091

Cc1cc(Nc2nccc(-c3ccc(N(C)C)nc3)n2)cnc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.39
JAK1 P23458 2/20 0.39
BTK Q06187 9/20 0.38
JAK3 P52333 1/20 0.37
CYP3A4 P08684 1/20 0.37
HRH2 P25021 1/20 0.37
CDK7 P50613 1/20 0.37
CD69 Q07108 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
MAP3K19 Q56UN5 1/20 0.37
CDKL2 Q92772 1/20 0.37
RIOK1 Q9BRS2 1/20 0.37
RIOK2 Q9BVS4 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
CHRNA7 P36544 5/20 0.37
KCNH2 Q12809 5/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
PAK1 Q13153 1/20 0.36
BRD4 O60885 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
SCHEMBL4287037 1.00 JAK2 (0.39) JAK2JAK1BTKJAK3CYP3A4
SCHEMBL4286098 0.89 PAK1 (0.43) JAK2JAK1BTKJAK3CYP3A4
SCHEMBL4282165 0.89 PAK1 (0.43) JAK2JAK1BTKJAK3CYP3A4
SCHEMBL4287754 0.88 JAK2 (0.40) JAK2JAK1BTKJAK3CYP3A4
SCHEMBL4278805 0.88 JAK2 (0.40) JAK2JAK1BTKJAK3CYP3A4
SCHEMBL4278617 0.85 CHRNA7 (0.48) CHRNA7KCNH2ZAP70
SCHEMBL4282062 0.85 CHRNA7 (0.48) CHRNA7KCNH2ZAP70
SCHEMBL4284740 0.85 FGFR4 (0.43) JAK2JAK1JAK3
SCHEMBL4286131 0.85 FGFR4 (0.43) JAK2JAK1JAK3
SCHEMBL4286292 0.84 JAK2 (0.42) JAK2JAK1JAK3

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 4729/4885JAK1 4796/4885BTK 4878/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885BTK 11/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885BTK 12/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885BTK 12/4885

“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.