SCHEMBL946045

SCHEMBL946045

CC(=O)Nc1ccc(-c2nc(C(S)c3cccc(CCC(=O)NCCN4CCCCC4C)n3)nc(N)c2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.44
ADORA2A P29274 1/20 0.44
IKBKB O14920 4/20 0.38
TSHR P16473 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.36
TERT O14746 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CHUK O15111 1/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34

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 SCHEMBL946414 0.99 ADORA1 (0.44) ADORA1ADORA2AIKBKBTSHRKDM4E
SCHEMBL946046 0.85 ADORA1 (0.62) ADORA1ADORA2AIKBKBTSHRKDM4E
Hydrochloric Acid SCHEMBL945957 0.85 ADORA1 (0.45) ADORA1ADORA2AIKBKBCHUK
SCHEMBL3737757 0.85 ADORA1 (0.45) ADORA1ADORA2AIKBKBRXFP1CHUK
Hydrochloric Acid SCHEMBL946415 0.85 ADORA1 (0.61) ADORA1ADORA2AIKBKBTSHRKDM4E
SCHEMBL945978 0.84 ADORA1 (0.47) ADORA1ADORA2AIKBKBCHUK
Hydrochloric Acid SCHEMBL948352 0.83 ADORA1 (0.47) ADORA1ADORA2AIKBKBCHUK
SCHEMBL5502415 0.83 ADORA1 (0.47) ADORA1ADORA2AIKBKBCYP2C19CHUK
SCHEMBL945760 0.83 ADORA1 (0.56) ADORA1ADORA2AIKBKBSMN1; SMN2TERT
SCHEMBL5499490 0.82 ADORA1 (0.47) ADORA1ADORA2AIKBKBKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US claimed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US claimed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP claimed
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.