SCHEMBL7896855

SCHEMBL7896855

COC(=O)c1cc(N)c(N)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 5/20 0.50
GAA P10253 5/20 0.50
HSD17B10 Q99714 3/20 0.50
CFTR P13569 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
ABL1 P00519 1/20 0.49
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41

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
SCHEMBL1567667 0.90 KDM4E (0.59) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL15133527 0.90 KDM4E (0.59) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL1770853 0.89 KDM4E (0.49) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL29906742 0.87 GAA (0.50) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL23536211 0.85 NQO2 (0.49) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL8164437 0.85 KDM4E (0.46) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL30064505 0.85 NQO2 (0.49) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL2395330 0.85 GAA (0.61) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL1512455 0.85 KDM4E (0.46) KDM4EALDH1A1GAAHSD17B10CFTR
SCHEMBL31431696 0.85 CFTR (0.53) KDM4EALDH1A1GAAHSD17B10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4271664-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-11-08 EP disclosed
CN-116867758-A IRAK degradation agents and uses thereof 凯麦拉医疗公司 2023-10-10 CN disclosed
WO-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO disclosed
WO-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO disclosed
US-10947206-B2 cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
WO-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 WO 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-10947206-B2 cGAS antagonist compounds CGAS, STING1, GLS2 KDM4E 4717/4885ALDH1A1 3908/4885GAA 51/4885
US-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A KDM4E 1337/4885ALDH1A1 387/4885GAA 54/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A KDM4E 641/4885ALDH1A1 1344/4885GAA 20/4885

“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.