SCHEMBL4921963

SCHEMBL4921963

Brc1c(Br)c(Br)c(Nc2ncnc3nc[nH]c23)c(Br)c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.55
BRAF P15056 2/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
HTT P42858 7/20 0.50
HSD17B10 Q99714 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 1/20 0.50
TOP2A P11388 1/20 0.50
GFER P55789 1/20 0.50
ROCK1 Q13464 1/20 0.49
LMNA P02545 3/20 0.49
PAK1 Q13153 1/20 0.49
CYP1A2 P05177 1/20 0.49
HIF1A Q16665 1/20 0.49
TP53 P04637 1/20 0.48
BRD4 O60885 1/20 0.48
LCK P06239 1/20 0.48

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
SCHEMBL4932859 0.88 MKNK1 (0.50) MKNK1BRAFRAB9ANPC1HTT
SCHEMBL4927107 0.83 MKNK1 (0.55) MKNK1BRAFRAB9ANPC1HTT
SCHEMBL4911869 0.80 MKNK1 (0.56) MKNK1BRAFRAB9ANPC1HTT
SCHEMBL4913580 0.80 MKNK1 (0.63) MKNK1BRAFRAB9ANPC1HTT
SCHEMBL4921040 0.80 MKNK1 (0.63) MKNK1BRAFRAB9ANPC1HTT
SCHEMBL4924494 0.79 HTT (0.51) MKNK1BRAFRAB9ANPC1HTT
SCHEMBL4921641 0.78 MKNK1 (0.73) MKNK1BRAFRAB9ANPC1HTT
SCHEMBL4922370 0.77 MKNK1 (0.52) MKNK1BRAFRAB9ANPC1HTT
SCHEMBL4922110 0.77 MKNK1 (0.52) MKNK1BRAFRAB9ANPC1HTT
SCHEMBL4913861 0.77 MKNK1 (0.56) MKNK1BRAFRAB9ANPC1HTT

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
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EPERIMENTALNI BOTANIKY AKADEMI VED CESKE REPUBILIKY (CZ) 2005-02-24 US claimed
US-8552013-B2 Heterocyclic compounds based on N6-substituted adenine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2013-10-08 US disclosed
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2008-01-17 US disclosed
US-7279482-B2 Heterocyclic compound based on N6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds Ústav experimentálni botaniky Akademie ved Ceské republiky (CZ) 2007-10-09 US disclosed
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EPERIMENTALNI BOTANIKY AKADEMI VED CESKE REPUBILIKY (CZ) 2005-02-24 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 (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-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS TYMP, CCNB1, CCNA2 MKNK1 2807/4885BRAF 803/4885RAB9A 1750/4885
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ATIC, UMPS, CCNB1 MKNK1 1920/4885BRAF 1760/4885RAB9A 1756/4885

“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.