SCHEMBL6517445

SCHEMBL6517445

CC(C)(C)OC(=O)Nc1ncc(N)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.40
MAP4K4 O95819 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SYK P43405 1/20 0.37
LCK P06239 1/20 0.36
ATR Q13535 1/20 0.36
PRMT1 Q99873 1/20 0.35
AAK1 Q2M2I8 3/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAPK1 P28482 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
SCHEMBL24364156 0.84 MAPKAPK2 (0.40) MAPKAPK2MAP4K4CA1CA2SYK
SCHEMBL30469570 0.84 MAPKAPK2 (0.40) MAPKAPK2MAP4K4CA1CA2SYK
SCHEMBL31430396 0.82 MAPKAPK2 (0.41) MAPKAPK2MAP4K4CA1CA2SYK
SCHEMBL24367667 0.82 ALDH1A1 (0.40) MAPKAPK2MAP4K4CA1CA2SYK
SCHEMBL24364867 0.82 MAPKAPK2 (0.41) MAPKAPK2MAP4K4CA1CA2SYK
SCHEMBL29477633 0.82 ALDH1A1 (0.40) MAPKAPK2MAP4K4CA1CA2SYK
SCHEMBL24366932 0.81 LMNA (0.40) MAPKAPK2MAP4K4SYKATRPRMT1
SCHEMBL29477586 0.81 LMNA (0.40) MAPKAPK2MAP4K4SYKATRPRMT1
SCHEMBL858165 0.80 AAK1 (0.42) MAPKAPK2MAP4K4CA1CA2NPC1
SCHEMBL24364864 0.80 MAP4K4 (0.42) MAPKAPK2MAP4K4CA1CA2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 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 (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-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 MAPKAPK2 4853/4885MAP4K4 4660/4885CA1 1719/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 MAPKAPK2 20/4885MAP4K4 21/4885CA1 4850/4885

“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.