SCHEMBL9968614

SCHEMBL9968614

CC(C)(C)Cc1ccc2nccn2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.44
CLK4 Q9HAZ1 3/20 0.40
MAPK14 Q16539 2/20 0.40
MAP4K4 O95819 2/20 0.40
PRKACA P17612 2/20 0.40
CDK8 P49336 2/20 0.40
LRRK2 Q5S007 2/20 0.40
KDR P35968 6/20 0.39
RET P07949 3/20 0.39
JAK2 O60674 2/20 0.39
GSK3A P49840 2/20 0.39
RPS6KA3 P51812 2/20 0.39
LIMK1 P53667 2/20 0.39
MAP2K1 Q02750 2/20 0.39
ALK Q9UM73 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38

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
SCHEMBL18911174 0.85 DYRK1A (0.41) DYRK1ACLK4MAPK14MAP4K4PRKACA
SCHEMBL19222554 0.83 DYRK1A (0.39) DYRK1ACLK4MAPK14MAP4K4PRKACA
SCHEMBL2066932 0.80 DYRK1A (0.47) DYRK1ACLK4MAPK14MAP4K4PRKACA
SCHEMBL877269 0.80 DYRK1A (0.50) DYRK1ACLK4MAPK14MAP4K4PRKACA
SCHEMBL2067982 0.77 DYRK1A (0.45) DYRK1ACLK4MAPK14MAP4K4PRKACA
SCHEMBL877547 0.77 DYRK1A (0.47) DYRK1ACLK4MAPK14MAP4K4PRKACA
SCHEMBL12482954 0.77 DYRK1A (0.47) DYRK1ACLK4MAPK14MAP4K4PRKACA
SCHEMBL19006101 0.76 DYRK1A (0.44) DYRK1ACLK4MAPK14MAP4K4PRKACA
SCHEMBL18911173 0.76 DYRK1A (0.44) DYRK1ACLK4MAPK14MAP4K4PRKACA
SCHEMBL2065715 0.75 DYRK1A (0.42) DYRK1ACLK4MAPK14MAP4K4PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2022-05-24 US disclosed
US-10227357-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-03-12 US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-06-08 US disclosed
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-06-01 US disclosed
US-20150191476-A1 Imidazotriazinone Compounds FORUM PHARMACEUTICALS INC. 2015-07-09 US disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 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 (7 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-10227357-B2 Compounds and methods for kinase modulation, and indications therefor KIT, PRKCH, PRKACA DYRK1A 915/4885CLK4 902/4885MAPK14 171/4885
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 DYRK1A 638/4885CLK4 566/4885MAPK14 84/4885
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 DYRK1A 1817/4885CLK4 2625/4885MAPK14 2850/4885
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE12, PDE4A DYRK1A 1194/4885CLK4 2066/4885MAPK14 1658/4885
US-20150191476-A1 Imidazotriazinone Compounds PDE9A, PDE12, PDE4A DYRK1A 1194/4885CLK4 2066/4885MAPK14 1658/4885
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 DYRK1A 1817/4885CLK4 2625/4885MAPK14 2850/4885
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 DYRK1A 638/4885CLK4 566/4885MAPK14 84/4885

“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.