SCHEMBL4921040

SCHEMBL4921040

Fc1c(F)c(F)c(Nc2ncnc3nc[nH]c23)c(F)c1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.63
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
HTT P42858 7/20 0.51
HSD17B10 Q99714 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPK1 P28482 2/20 0.51
BRAF P15056 2/20 0.50
TSHR P16473 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
SCHEMBL4923693 0.89 MKNK1 (0.58) MKNK1RAB9ANPC1HTTHSD17B10
SCHEMBL4927128 0.88 MKNK1 (0.55) MKNK1RAB9ANPC1HTTHSD17B10
SCHEMBL4920878 0.86 MKNK1 (0.56) MKNK1RAB9ANPC1HTTHSD17B10
SCHEMBL4913607 0.84 MKNK1 (0.61) MKNK1RAB9ANPC1HTTHSD17B10
SCHEMBL4922370 0.83 MKNK1 (0.52) MKNK1RAB9ANPC1HTTHSD17B10
SCHEMBL4917835 0.83 MKNK1 (0.62) MKNK1RAB9ANPC1HTTHSD17B10
SCHEMBL30374699 0.80 MKNK1 (0.58) MKNK1RAB9ANPC1HTTHSD17B10
SCHEMBL4911869 0.80 MKNK1 (0.56) MKNK1RAB9ANPC1HTTHSD17B10
SCHEMBL4916558 0.80 MKNK1 (0.56) MKNK1RAB9ANPC1HTTHSD17B10
SCHEMBL4913580 0.80 MKNK1 (0.63) MKNK1RAB9ANPC1HTTHSD17B10

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 7 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
CN-1556808-A Based on N6Heterocyclic compounds of substituted adenine, process for their preparation, their use for the preparation of medicaments, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds �ݿ˹��͹���������ʵ��ֲ��ѧ�� 2004-12-22 CN 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
CN-1556808-A Based on N6Heterocyclic compounds of substituted adenine, process for their preparation, their use for the preparation of medicaments, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds �ݿ˹��͹���������ʵ��ֲ��ѧ�� 2004-12-22 CN 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 2807/4885RAB9A 1750/4885NPC1 4382/4885
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 1920/4885RAB9A 1756/4885NPC1 4105/4885

“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.