SCHEMBL4282194

SCHEMBL4282194

Cc1cc(Nc2nccc(-c3cnc4c(c3)OCCN4C)n2)cnc1N1CC2CC1CN2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.36
BTK Q06187 2/20 0.36
JAK1 P23458 3/20 0.36
JAK3 P52333 2/20 0.36
CHRNA7 P36544 6/20 0.35
KCNH2 Q12809 6/20 0.35
SMG1 Q96Q15 2/20 0.35
CDK2 P24941 2/20 0.35
CDK1 P06493 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
GRM5 P41594 1/20 0.35
SYK P43405 1/20 0.35
MTOR P42345 1/20 0.34
CDK4 P11802 1/20 0.34
GSK3B P49841 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL4281711 1.00 JAK2 (0.36) JAK2BTKJAK1JAK3CHRNA7
SCHEMBL4278001 0.91 CLK1 (0.38) JAK2JAK1JAK3CHRNA7KCNH2
SCHEMBL4281751 0.91 CLK1 (0.38) JAK2JAK1JAK3CHRNA7KCNH2
SCHEMBL4280491 0.89 JAK2 (0.41) JAK2JAK1JAK3CLK1CLK2
SCHEMBL4276903 0.89 JAK2 (0.41) JAK2JAK1JAK3CLK1CLK2
SCHEMBL4282381 0.86 JAK2 (0.41) JAK2JAK1JAK3CDK2CLK1
SCHEMBL4286127 0.86 JAK2 (0.41) JAK2JAK1JAK3CDK2CLK1
SCHEMBL4280851 0.85 JAK2 (0.49) JAK2JAK3SMG1CDK2CDK1
SCHEMBL4283095 0.85 JAK2 (0.49) JAK2JAK3SMG1CDK2CDK1
SCHEMBL4280928 0.82 EGFR (0.36) JAK2JAK3CDK2CLK1CLK2

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 7 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-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 (3 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-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885BTK 11/4885JAK1 2/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885BTK 12/4885JAK1 2/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885BTK 12/4885JAK1 2/4885

“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.