SCHEMBL945535

SCHEMBL945535

CC(=O)Nc1ccc(-c2nc(SCc3cccc(CCC(=O)NN4CCN(C)CC4)n3)nc(N)c2C#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.67
ADORA2A P29274 3/20 0.67
ADORA3 P0DMS8 2/20 0.41
ADORA2B P29275 2/20 0.41
IKBKB O14920 1/20 0.36
PDE4B Q07343 2/20 0.36

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
Hydrochloric Acid SCHEMBL946097 0.99 ADORA1 (0.66) ADORA1ADORA2AADORA3ADORA2BIKBKB
SCHEMBL946132 0.90 ADORA1 (0.81) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL12359336 0.88 ADORA1 (0.68) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL945335 0.88 ADORA1 (0.77) ADORA1ADORA2AADORA3ADORA2BIKBKB
Hydrochloric Acid SCHEMBL950249 0.87 ADORA1 (0.76) ADORA1ADORA2AADORA3ADORA2BIKBKB
SCHEMBL950184 0.87 ADORA1 (0.73) ADORA1ADORA2AADORA3ADORA2BIKBKB
SCHEMBL945445 0.87 ADORA1 (0.73) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL12359397 0.86 ADORA1 (0.68) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL411493 0.86 ADORA1 (0.65) ADORA1ADORA2AADORA3ADORA2BPDE4B
SCHEMBL410912 0.86 ADORA1 (0.67) 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
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US claimed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US claimed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives 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.