SCHEMBL414768

SCHEMBL414768

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.56
ADORA2A P29274 3/20 0.56
ADORA3 P0DMS8 2/20 0.38
ADORA2B P29275 2/20 0.38
PDE4B Q07343 6/20 0.38
ALDH1A1 P00352 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
SCHEMBL410221 0.92 ADORA1 (0.57) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL411493 0.91 ADORA1 (0.65) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL10118210 0.85 ADORA1 (0.41) ADORA1ADORA2A
SCHEMBL947228 0.85 ADORA1 (0.65) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL946659 0.83 ADORA1 (0.62) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL12359397 0.83 ADORA1 (0.68) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL410912 0.82 ADORA1 (0.67) ADORA1ADORA2AADORA3ADORA2BPDE4B
Hydrochloric Acid SCHEMBL947706 0.82 ADORA1 (0.66) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL947600 0.81 ADORA1 (0.68) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL1740127 0.80 ADORA1 (0.55) ADORA1ADORA2AADORA3ADORA2BPDE4B

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 3 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

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.