SCHEMBL414200

SCHEMBL414200

CC(=O)Nc1ccc(-c2nc(SCc3cccc(CCC(=O)N4CCN(CC5CCNCC5)CC4)n3)nc(N)c2C#N)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.73
ADORA2A P29274 3/20 0.73
KDM1A O60341 2/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CSNK2A1 P68400 1/20 0.32

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 SCHEMBL414128 0.99 ADORA1 (0.72) ADORA1ADORA2AKDM1AADORA3ADORA2B
SCHEMBL10135692 0.93 ADORA1 (0.74) ADORA1ADORA2AADORA3ADORA2B
Hydrochloric Acid SCHEMBL414208 0.92 ADORA1 (0.62) ADORA1ADORA2AKDM1AADORA3ADORA2B
SCHEMBL19720077 0.92 ADORA1 (0.64) ADORA1ADORA2AKDM1AADORA3ADORA2B
SCHEMBL10136214 0.92 ADORA1 (0.60) ADORA1ADORA2AKDM1AADORA3ADORA2B
SCHEMBL414307 0.91 ADORA1 (0.75) ADORA1ADORA2AADORA3ADORA2B
Hydrochloric Acid SCHEMBL1740963 0.91 ADORA1 (0.62) ADORA1ADORA2AKDM1AADORA3ADORA2B
SCHEMBL412422 0.91 ADORA1 (0.74) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL415216 0.90 ADORA1 (0.73) ADORA1ADORA2AADORA3ADORA2B
Hydrochloric Acid SCHEMBL948373 0.90 ADORA1 (0.74) 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 14 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 claimed
US-9708292-B2 Cyanopyrimidine derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-07-18 US claimed
US-20120022077-A1 NOVEL CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-26 US claimed
EP-2393552-A1 A NOVEL CYANOPYRIMIDINE DERIVATIVE Otsuka Pharmaceutical Co., Ltd. (JP) 2011-12-14 EP claimed
WO-2010090299-A1 A NOVEL CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-12 WO claimed
EP-2393552-B1 A CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2017-12-20 EP disclosed
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-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
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
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 1/4885KDM1A 4012/4885

“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.