SCHEMBL2080225

SCHEMBL2080225

O=C(O)c1c[nH]c2c(Cl)ncnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
CSNK2A2 P19784 4/20 0.41
CSNK2B P67870 4/20 0.41
CSNK2A1 P68400 4/20 0.41
TET2 Q6N021 1/20 0.38
TET1 Q8NFU7 1/20 0.38
DYRK1A Q13627 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
EGLN1 Q9GZT9 1/20 0.35
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM3B Q7LBC6 1/20 0.33

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
SCHEMBL2080455 0.86 KDM5A (0.37) KDM5AKDM4CCSNK2A2CSNK2BCSNK2A1
SCHEMBL1494249 0.85 KDM5A (0.36) KDM5AKDM4CDYRK1AKDM4EALDH1A1
SCHEMBL27409267 0.81 KDM5A (0.34) KDM5AKDM4CDYRK1ALMNAKDM4E
SCHEMBL9931263 0.79 KDM5A (0.41) KDM5AKDM4CCSNK2A2CSNK2BCSNK2A1
SCHEMBL9930921 0.79 MTAP (0.43) KDM5AKDM4C
SCHEMBL27409275 0.77 LMNA (0.36) KDM5AKDM4CLMNAALDH1A1MAPT
SCHEMBL27409279 0.77 JAK3 (0.46)
SCHEMBL985078 0.77 JAK2 (0.46) CYP1A2KDM4EMAPT
SCHEMBL27409285 0.76 CA12 (0.36) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6733348 0.76 KDM4C (0.69) KDM5AKDM4CCSNK2A2CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-27 US disclosed
US-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-27 US disclosed
US-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-27 US disclosed
WO-2022197734-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2022-09-22 WO disclosed
US-7902204-B2 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-7902204-B2 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-7902204-B2 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
EP-1751161-B1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2010-07-14 EP disclosed
EP-1751161-B1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2010-07-14 EP disclosed
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-05-29 US disclosed
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-05-29 US disclosed
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-05-29 US disclosed
CN-1906199-A Diazaindole-dicarbonyl-piperazinyl antiviral agents BRISTOL MYERS SQUIBB CO (US) 2007-01-31 CN disclosed
US-20050124623-A1 For example, 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; useful for the treatment of HIV and AIDS SILEO, LLC 2005-06-09 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-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, ENTPD5 KDM5A 2373/4885KDM4C 2974/4885CSNK2A2 2788/4885
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, EIF2AK2 KDM5A 587/4885KDM4C 163/4885CSNK2A2 2806/4885
US-20050124623-A1 For example, 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; useful for the treatment of HIV and AIDS CD4, CCR5, PAICS KDM5A 456/4885KDM4C 212/4885CSNK2A2 3891/4885

“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.