SCHEMBL4280928

SCHEMBL4280928

Cc1cc(Nc2nccc(-c3cnc4c(c3)OCCN4C)n2)ccc1N1CC2CC1CN2S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.36
JAK2 O60674 6/20 0.36
JAK3 P52333 4/20 0.36
ACVR1 Q04771 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
BRD4 O60885 4/20 0.35
CDK9 P50750 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
CHEK1 O14757 1/20 0.34
FLT3 P36888 1/20 0.34
CDK4 P11802 1/20 0.34
GSK3B P49841 1/20 0.34
SYK P43405 1/20 0.34
PAK1 Q13153 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
SCHEMBL4277745 1.00 EGFR (0.36) EGFRJAK2JAK3ACVR1CLK1
SCHEMBL4281751 0.91 CLK1 (0.38) JAK2JAK3ACVR1CLK1CLK2
SCHEMBL4278001 0.91 CLK1 (0.38) JAK2JAK3ACVR1CLK1CLK2
SCHEMBL4281683 0.84 STK17A (0.43) JAK2JAK3CLK1CLK2DYRK1A
SCHEMBL4277877 0.84 STK17A (0.43) JAK2JAK3CLK1CLK2DYRK1A
SCHEMBL4282381 0.82 JAK2 (0.41) EGFRJAK2JAK3ACVR1CLK1
SCHEMBL4286127 0.82 JAK2 (0.41) EGFRJAK2JAK3ACVR1CLK1
SCHEMBL4281711 0.82 JAK2 (0.36) JAK2JAK3CLK1CLK2DYRK1A
SCHEMBL4282194 0.82 JAK2 (0.36) JAK2JAK3CLK1CLK2DYRK1A
SCHEMBL4280491 0.82 JAK2 (0.41) JAK2JAK3CLK1CLK2DYRK1A

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 EGFR 795/4885JAK2 1/4885JAK3 3/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 EGFR 494/4885JAK2 1/4885JAK3 3/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 EGFR 501/4885JAK2 1/4885JAK3 3/4885

“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.