SCHEMBL3596535

SCHEMBL3596535

CN(C(=O)OC(C)(C)C)c1cc(NN)ncn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.34
GPR119 Q8TDV5 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
FGFR4 P22455 3/20 0.32
PAX8 Q06710 1/20 0.32
TTK P33981 1/20 0.32
FGFR3 P22607 3/20 0.32
MAP4K4 O95819 1/20 0.32
MKNK2 Q9HBH9 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR1 P11362 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL17369332 0.81 ABL1 (0.45) GPR119MKNK2
SCHEMBL3592339 0.78 GRM5 (0.36) LCKFGFR4PAX8MAP4K4
SCHEMBL29070858 0.74 JAK3 (0.40) LCKGPR119L3MBTL1JAK3
SCHEMBL31430989 0.74 L3MBTL1 (0.47) L3MBTL1MAP4K4MKNK2
SCHEMBL27784540 0.71 JAK2 (0.39) L3MBTL1MAP4K4
SCHEMBL29417518 0.71 USP30 (0.39) PAX8TTK
SCHEMBL12705674 0.71 JAK3 (0.40) LCKL3MBTL1CYP3A4CYP2C19JAK3
SCHEMBL18786661 0.71 L3MBTL1 (0.38) GPR119L3MBTL1MAP4K4CYP3A4CYP2C19
SCHEMBL15184445 0.70 AAK1 (0.36) PAX8TTKMAP4K4
SCHEMBL29400337 0.70 GCK (0.38) LCKGPR119L3MBTL1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100184765-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2010-07-22 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008157131-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-12-24 WO disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO 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 (2 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK LCK 3/4885GPR119 1546/4885L3MBTL1 2819/4885
US-20100184765-A1 Protein Kinase Inhibitors and Methods for Using Thereof BMX, FRK, FYN LCK 8/4885GPR119 2456/4885L3MBTL1 2592/4885

“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.