SCHEMBL410221

SCHEMBL410221

[2H]c1c([2H])c(-c2nc(SCc3cccc(CCC(=O)O)n3)nc(N)c2C#N)c([2H])c([2H])c1NC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.57
ADORA2A P29274 3/20 0.57
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 2/20 0.39
CHUK O15111 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
CLK2 P49760 1/20 0.38
MAPK10 P53779 1/20 0.38
ITK Q08881 1/20 0.38
MAP4K2 Q12851 1/20 0.38
PASK Q96RG2 1/20 0.38
SRPK1 Q96SB4 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
PDE4B Q07343 5/20 0.37

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
SCHEMBL414768 0.92 ADORA1 (0.56) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL410912 0.91 ADORA1 (0.67) ADORA1ADORA2AADORA3ADORA2BCHUK
Hydrochloric Acid SCHEMBL947706 0.90 ADORA1 (0.66) ADORA1ADORA2AADORA3ADORA2BCHUK
SCHEMBL10118230 0.85 ADORA1 (0.42) ADORA1ADORA2A
SCHEMBL12359397 0.84 ADORA1 (0.68) ADORA1ADORA2AADORA3ADORA2BCHUK
SCHEMBL410685 0.83 ADORA1 (0.54) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL411493 0.82 ADORA1 (0.65) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL947600 0.82 ADORA1 (0.68) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL947228 0.82 ADORA1 (0.65) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL949863 0.81 ADORA1 (0.65) ADORA1ADORA2AADORA3ADORA2BCHUK

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
EP-2393552-B1 A CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2017-12-20 EP disclosed
US-9708292-B2 Cyanopyrimidine derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-07-18 US disclosed
US-20120022077-A1 NOVEL CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-26 US disclosed
EP-2393552-A1 A NOVEL CYANOPYRIMIDINE DERIVATIVE Otsuka Pharmaceutical Co., Ltd. (JP) 2011-12-14 EP disclosed
WO-2010090299-A1 A NOVEL CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-12 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 (1 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-20120022077-A1 NOVEL CYANOPYRIMIDINE DERIVATIVE ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885ADORA3 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.