SCHEMBL8465200

SCHEMBL8465200

C[C@@H](O)Cn1cnc(C#N)c1N

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.47
ADORA1 P30542 2/20 0.47
TGFBR1 P36897 6/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ADORA2B P29275 1/20 0.32
AGER Q15109 1/20 0.31
AHCY P23526 1/20 0.31
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL8465291 1.00 ADORA2A (0.47) ADORA2AADORA1TGFBR1PKMLMNA
SCHEMBL1301644 0.87 PKM (0.40) ADORA2AADORA1TGFBR1PKMLMNA
SCHEMBL6611707 0.78 PKM (0.47) ADORA2AADORA1TGFBR1PKMKDM4E
SCHEMBL6024012 0.71 LMNA (0.49) ADORA2AADORA1TGFBR1PKMLMNA
SCHEMBL8276285 0.71 ADORA2A (0.47) ADORA2AADORA1LMNASMN1; SMN2KDM4E
SCHEMBL8276282 0.71 ADORA2A (0.47) ADORA2AADORA1LMNASMN1; SMN2KDM4E
SCHEMBL10147182 0.68 POLB (0.40) ADORA2ATGFBR1PKMLMNASMN1; SMN2
SCHEMBL3130833 0.68 ADORA2A (0.47) ADORA2APKMLMNASMN1; SMN2ALDH1A1
SCHEMBL2112231 0.67
SCHEMBL1301329 0.67 POLB (0.39) ADORA2ATGFBR1LMNASMN1; SMN2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785654-B2 Method for production of N-(2-amino-1,2-dicyanovinyl)imidates, method for production of N-(2-amino-1,2-dicyanovinyl)formamidine, and method for production of aminoimidazole derivatives NIPPON SODA CO., LTD. (JP) 2014-07-22 US disclosed
US-8273899-B2 Method for production of N-(2-amino-1,2-dicyanovinyl)imidates, method for production of N-(2-amino-1,2-dicyanovinyl)formamidine, and method for production of aminoimidazole derivatives NIPPON SODA CO., LTD. (JP) 2012-09-25 US disclosed
US-8258333-B2 Method for production of N-(2-amino-1,2-dicyanovinyl)imidates, method for production of N-(2-amino-1,2-dicyanovinyl)formamidine, and method for production of aminoimidazole derivatives NIPPON SODA CO., LTD. (JP) 2012-09-04 US disclosed
US-20120142957-A1 METHOD FOR PRODUCTION OF N-(2-AMINO-1,2-DICYANOVINYL)IMIDATES, METHOD FOR PRODUCTION OF N-(2-AMINO-1,2-DICYANOVINYL)FORMAMIDINE, AND METHOD FOR PRODUCTION OF AMINOIMIDAZOLE DERIVATIVES NIPPON SODA CO., LTD. (JP) 2012-06-07 US disclosed
US-20120130083-A1 METHOD FOR PRODUCTION OF N-(2-AMINO-1,2-DICYANOVINYL)IMIDATES, METHOD FOR PRODUCTION OF N-(2-AMINO-1,2-DICYANOVINYL)FORMAMIDINE, AND METHOD FOR PRODUCTION OF AMINOIMIDAZOLE DERIVATIVES NIPPON SODA CO., LTD. (JP) 2012-05-24 US disclosed
US-20100087655-A1 METHOD FOR PRODUCTION OF N-(2-AMINO-1,2-DICYANOVINYL)IMIDATES, METHOD FOR PRODUCTION OF N-(2-AMINO-1,2-DICYANOVINYL)FORMAMIDINE, AND METHOD FOR PRODUCTION OF AMINOIMIDAZOLE DERIVATIVES NIPPON SODA CO., LTD (JP) 2010-04-08 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 (3 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-20100087655-A1 METHOD FOR PRODUCTION OF N-(2-AMINO-1,2-DICYANOVINYL)IMIDATES, METHOD FOR PRODUCTION OF N-(2-AMINO-1,2-DICYANOVINYL)FORMAMIDINE, AND METHOD FOR PRODUCTION OF AMINOIMIDAZOLE DERIVATIVES NAAA, ITPA, GART ADORA2A 609/4885ADORA1 604/4885TGFBR1 4201/4885
US-20120142957-A1 METHOD FOR PRODUCTION OF N-(2-AMINO-1,2-DICYANOVINYL)IMIDATES, METHOD FOR PRODUCTION OF N-(2-AMINO-1,2-DICYANOVINYL)FORMAMIDINE, AND METHOD FOR PRODUCTION OF AMINOIMIDAZOLE DERIVATIVES NIT2, NPM1, NAT1 ADORA2A 2521/4885ADORA1 1346/4885TGFBR1 3591/4885
US-20120130083-A1 METHOD FOR PRODUCTION OF N-(2-AMINO-1,2-DICYANOVINYL)IMIDATES, METHOD FOR PRODUCTION OF N-(2-AMINO-1,2-DICYANOVINYL)FORMAMIDINE, AND METHOD FOR PRODUCTION OF AMINOIMIDAZOLE DERIVATIVES NCL, NCLN, NIT2 ADORA2A 2214/4885ADORA1 1667/4885TGFBR1 3863/4885

“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.