SCHEMBL4281270

SCHEMBL4281270

Cc1cc(Nc2nccc(-c3cnc4c(c3)OC(C)(C)C(=O)N4)n2)cnc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 10/20 0.36
JAK2 O60674 8/20 0.36
SYK P43405 1/20 0.36
JAK3 P52333 3/20 0.35
BRD4 O60885 3/20 0.35
TYK2 P29597 6/20 0.34
CDK9 P50750 1/20 0.33
BTK Q06187 2/20 0.33
PAK1 Q13153 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRNA7 P36544 1/20 0.33
KCNH2 Q12809 1/20 0.33
ABL1 P00519 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33

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
SCHEMBL4284718 1.00 JAK1 (0.36) JAK1JAK2SYKJAK3BRD4
SCHEMBL4291726 0.91 PAK1 (0.39) JAK1JAK2SYKJAK3BRD4
SCHEMBL4284581 0.91 PAK1 (0.39) JAK1JAK2SYKJAK3BRD4
SCHEMBL4284314 0.91 PAK1 (0.39) JAK1JAK2SYKJAK3BRD4
SCHEMBL4291910 0.88 JAK2 (0.40) JAK1JAK2SYKJAK3TYK2
SCHEMBL4286450 0.88 JAK2 (0.40) JAK1JAK2SYKJAK3TYK2
SCHEMBL4284725 0.85 PAK1 (0.40) JAK1JAK2SYKJAK3BRD4
SCHEMBL4278534 0.85 PAK1 (0.40) JAK1JAK2SYKJAK3BRD4
SCHEMBL4279808 0.85 JAK2 (0.39) JAK1JAK2SYKJAK3BRD4
SCHEMBL4286534 0.85 JAK2 (0.39) JAK1JAK2SYKJAK3BRD4

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 JAK1 4796/4885JAK2 4729/4885SYK 4857/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885SYK 36/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885SYK 39/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885SYK 46/4885

“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.