SCHEMBL16648595

SCHEMBL16648595

CC(C)(C)Nc1nc(C(=O)COc2ccccc2)nc2nc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
TOP2A P11388 1/20 0.40
STAT3 P40763 3/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ADORA2A P29274 1/20 0.39
CDK1 P06493 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
BRD4 O60885 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL5694207 0.79 PDPK1 (0.43) TOP2AALDH1A1CDK1LMNA
SCHEMBL1365498 0.72 PDE4A (0.68) SYKTOP2AADORA3ALDH1A1ADORA2A
SCHEMBL30129043 0.72 PDE4A (0.68) SYKTOP2AADORA3ALDH1A1ADORA2A
SCHEMBL5694112 0.70 NPC1 (0.49) ADORA3ALDH1A1ADORA2AALPLMAPT
SCHEMBL5694094 0.70 XDH (0.51) STAT3ADORA3ALDH1A1ADORA2ANPC1
SCHEMBL3236121 0.68 PDE5A (0.41) ALDH1A1NPC1
SCHEMBL30536136 0.68 BRD4 (0.63) ALPLBRD4MAPTNPC1LMNA
SCHEMBL6933558 0.68 BRD4 (0.63) ALPLBRD4MAPTNPC1LMNA
SCHEMBL5694198 0.68 ALOX15 (0.40) ADORA3ADORA1ALDH1A1ADORA2AALPL
SCHEMBL28472898 0.67 BRD4 (0.46) TOP2ASTAT3ADORA3ADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862868-B1 INTERMEDIATE FOR PRODUCTION OF NUCLEOSIDE ANALOGUE, AND METHOD FOR PRODUCING SAME DAIICHI SANKYO CO LTD (JP) 2020-04-08 EP disclosed
US-9738681-B2 Intermediate for production of nucleoside analog and method for producing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-08-22 US disclosed
US-20160068561-A9 Intermediate for Production of Nucleoside Analog and Method for Producing the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-03-10 US disclosed
US-20150152132-A1 Intermediate for Production of Nucleoside Analog and Method for Producing the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-04 US disclosed
EP-2862868-A1 INTERMEDIATE FOR PRODUCTION OF NUCLEOSIDE ANALOGUE, AND METHOD FOR PRODUCING SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-04-22 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 (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-20150152132-A1 Intermediate for Production of Nucleoside Analog and Method for Producing the Same RNGTT, NSUN2, RNMT SYK 3522/4885TOP2A 346/4885STAT3 1050/4885
US-20160068561-A9 Intermediate for Production of Nucleoside Analog and Method for Producing the Same RNGTT, NSUN2, RNMT SYK 3522/4885TOP2A 346/4885STAT3 1050/4885

“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.