SCHEMBL949808

SCHEMBL949808

CC(=O)Nc1ccc(-c2nc(SCc3cccc(CNCCCCN4CCCC4)n3)nc(N)c2C#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.63
ADORA2A P29274 2/20 0.63
IKBKB O14920 4/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
HTR3A P46098 1/20 0.38
ABCC1 P33527 1/20 0.37
CHRNA7 P36544 2/20 0.36
CHUK O15111 1/20 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
SCHEMBL949806 0.89 ADORA1 (0.66) ADORA1ADORA2AIKBKBADORA3ADORA2B
SCHEMBL945817 0.85 ADORA1 (0.70) ADORA1ADORA2AIKBKBADORA3ADORA2B
Hydrochloric Acid SCHEMBL948950 0.85 ADORA1 (0.64) ADORA1ADORA2AIKBKBADORA3ADORA2B
SCHEMBL946133 0.85 ADORA1 (0.67) ADORA1ADORA2AADORA3ADORA2B
Hydrochloric Acid SCHEMBL3740318 0.84 ADORA1 (0.69) ADORA1ADORA2AIKBKBADORA3ADORA2B
SCHEMBL945688 0.84 ADORA1 (0.83) ADORA1ADORA2AIKBKBADORA3ADORA2B
SCHEMBL948378 0.84 ADORA1 (0.64) ADORA1ADORA2AADORA3ADORA2BCHUK
Hydrochloric Acid SCHEMBL946971 0.84 ADORA1 (0.82) ADORA1ADORA2AIKBKBADORA3ADORA2B
SCHEMBL945968 0.83 ADORA1 (0.69) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL12359336 0.83 ADORA1 (0.68) ADORA1ADORA2AADORA3ADORA2B

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 7 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 disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 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 (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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885IKBKB 2492/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885IKBKB 2492/4885

“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.