SCHEMBL4286241

SCHEMBL4286241

Cc1cc(Nc2nccc(-c3cnc4c(c3)OCC(=O)N4)n2)ccc1N1CC2CC1CO2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 2/20 0.43
CLK4 Q9HAZ1 2/20 0.41
MYLK4 Q86YV6 1/20 0.41
SYK P43405 2/20 0.38
GRM4 Q14833 3/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
BRD4 O60885 6/20 0.36
CDK9 P50750 4/20 0.36
MAP3K12 Q12852 3/20 0.36
TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL4278738 1.00 STK17A (0.43) STK17ACLK4MYLK4SYKGRM4
SCHEMBL4281410 0.88 STK17A (0.43) STK17ACLK4MYLK4SYKGRM4
SCHEMBL4287652 0.88 STK17A (0.43) STK17ACLK4MYLK4SYKGRM4
SCHEMBL4290677 0.88 PAK1 (0.39) CLK4JAK2JAK1TYK2JAK3
SCHEMBL4284672 0.88 PAK1 (0.39) CLK4JAK2JAK1TYK2JAK3
SCHEMBL4286106 0.83 STK17A (0.48) STK17ACLK4MYLK4SYKMAP3K12
SCHEMBL4276690 0.83 STK17A (0.48) STK17ACLK4MYLK4SYKMAP3K12
SCHEMBL4284312 0.82 STK17A (0.48) STK17ACLK4MYLK4SYKJAK2
SCHEMBL4281316 0.82 STK17A (0.48) STK17ACLK4MYLK4SYKJAK2
SCHEMBL4283925 0.82 STK17A (0.46) STK17ACLK4MYLK4SYKGRM4

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
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO 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 STK17A 247/4885CLK4 1184/4885MYLK4 1575/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 STK17A 213/4885CLK4 699/4885MYLK4 1855/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 STK17A 229/4885CLK4 689/4885MYLK4 1872/4885

“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.