SCHEMBL616507

SCHEMBL616507

Cn1cnc2c(F)cc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
PRPS1 P60891 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
DPP4 P27487 2/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
GRM5 P41594 1/20 0.33
MAPK14 Q16539 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP2C9 P11712 1/20 0.32
IDO1 P14902 1/20 0.32
KCNH2 Q12809 1/20 0.32
PDE10A Q9Y233 2/20 0.32
PDE2A O00408 1/20 0.32
RECQL P46063 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
SCHEMBL10147308 0.82 LMNA (0.40) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL10147304 0.82 LMNA (0.46) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL20600776 0.81 PRPS1 (0.44) LMNAPRPS1KDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL30071620 0.79 ADORA2A (0.37) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL30733319 0.74 AR (0.39) LMNAKDM4EALDH1A1BRD4MAPK14
SCHEMBL12352344 0.73 LMNA (0.42) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL616404 0.73 PRPS1 (0.45) PRPS1ALDH1A1ADORA2ACYP2C9IDO1
SCHEMBL28360907 0.72 LMNA (0.37) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL12970324 0.72 ESR1 (0.37) LMNADPP4IKBKBCHUK
SCHEMBL19848258 0.72 DDB1 (0.41) LMNAKDM4EALDH1A1GLAGAA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
WO-2024077391-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2024-04-18 WO disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-9150606-B2 Compositions comprising alternating 2'-modified nucleosides for use in gene modulation ISIS PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
US-7939677-B2 Oligomeric compounds comprising 4′-thionucleosides for use in gene modulation ISIS PHARMACEUTICALS, INC. (US) 2011-05-10 US disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 US disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 US disclosed
US-7875733-B2 Nucleosides; RNA interference; gene expression inhibition; for use in therapeutic, diagnostic, and research applications involving gene silencing ISIS PHARMACEUTICALS, INC. (US) 2011-01-25 US disclosed
US-20100324277-A1 OLIGOMERIC COMPOUNDS COMPRISING 4'-THIONUCLEOSIDES FOR USE IN GENE MODULATION ISIS PHARMACEUTICALS, INC. (US) 2010-12-23 US disclosed
US-7713944-B2 Oligomers comprising activated disulfides which bind to plasma proteins and their use for delivery to cells ISIS PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
US-20080207541-A1 Contacting a eukaryotic cell with a mixed backbone oligonucleotide with a first region that forms a substrate for cleavage by an RNase and a second region which does not, and a transition moiety which modulates the transmission of the conformation of said second region into the first region IONIS PHARMACEUTICALS, INC. 2008-08-28 US disclosed
US-20070276139-A1 Substituted Pixyl Protecting Groups for Oligonucleotide Synthesis ISIS PHARMACEUTICALS, INC. 2007-11-29 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 (10 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-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LMNA 1757/4885PRPS1 1994/4885KDM4E 796/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LMNA 1757/4885PRPS1 1994/4885KDM4E 796/4885
US-20080207541-A1 Contacting a eukaryotic cell with a mixed backbone oligonucleotide with a first region that forms a substrate for cleavage by an RNase and a second region which does not, and a transition moiety which modulates the transmission of the conformation of said second region into the first region RNASEH1, NSUN3, RNASEL LMNA 453/4885PRPS1 626/4885KDM4E 3689/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 LMNA 1757/4885PRPS1 1994/4885KDM4E 796/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 LMNA 1757/4885PRPS1 1994/4885KDM4E 796/4885
US-20100324277-A1 OLIGOMERIC COMPOUNDS COMPRISING 4'-THIONUCLEOSIDES FOR USE IN GENE MODULATION SNRPE, NSUN3, NSUN2 LMNA 2015/4885PRPS1 2021/4885KDM4E 3503/4885
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 LMNA 3896/4885PRPS1 4102/4885KDM4E 684/4885
US-20070276139-A1 Substituted Pixyl Protecting Groups for Oligonucleotide Synthesis RPP30, NOP10, NR0B1 LMNA 519/4885PRPS1 829/4885KDM4E 3836/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LMNA 1757/4885PRPS1 1994/4885KDM4E 796/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LMNA 1757/4885PRPS1 1994/4885KDM4E 796/4885

“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.