SCHEMBL1770853

SCHEMBL1770853

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 6/20 0.47
GAA P10253 5/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
GLA P06280 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
CFTR P13569 3/20 0.47
ABL1 P00519 1/20 0.46
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.41
SOS1 Q07889 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39

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
SCHEMBL7896855 0.89 KDM4E (0.52) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL8473587 0.87 KDM4E (0.50) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL1567667 0.87 KDM4E (0.59) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL18432612 0.86 KMT2A (0.46) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL2811951 0.86 KDM4E (0.53) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL30280995 0.85 KDM4E (0.55) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL2318882 0.85 KDM4E (0.55) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL2538919 0.85 KMT2A (0.44) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL29906742 0.84 GAA (0.50) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL15133527 0.83 KDM4E (0.59) KDM4EALDH1A1GAAHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025056518-A1 5,6-DISUBSTITUTED ALKYL 1H AND 2H-INDAZOLES AS DUAL BUTYRYLCHOLINESTERASE AND p38α MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES UNIVERZA V LJUBLJANI (SI) 2025-03-20 WO disclosed
CN-115504986-B Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-14 CN disclosed
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2024-05-09 US disclosed
CN-112236431-B Purinone Compounds and Their Use in the Treatment of Cancer 阿斯利康(瑞典)有限公司 2024-02-13 CN disclosed
US-11884671-B2 Purinone compounds and their use in treating cancer ASTRAZENECA AB (SE) 2024-01-30 US disclosed
CN-111107848-B Pharmaceutical composition containing amide derivatives, and preparation method and application thereof 江苏豪森药业集团有限公司 2023-05-23 CN disclosed
CN-115504986-A Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-12-23 CN disclosed
CN-111094250-B Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-04 CN disclosed
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 US disclosed
EP-3807278-B1 PURINONE DERIVATIVES AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2022-08-31 EP disclosed
US-20080242596-A1 BENZYLIC GLYCOSIDE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2008-10-02 US disclosed
US-20080242596-A1 BENZYLIC GLYCOSIDE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2008-10-02 US disclosed
WO-2007140191-A2 GLUCOSE TRANSPORT INHIBITORS AND METHODS OF USE THERACOS, INC. (US) 2007-12-06 WO disclosed
WO-2007140191-A2 GLUCOSE TRANSPORT INHIBITORS AND METHODS OF USE THERACOS, INC. (US) 2007-12-06 WO disclosed
US-20070275907-A1 GLUCOSE TRANSPORT INHIBITORS AND METHODS OF USE SEED, BRIAN 2007-11-29 US disclosed
US-20070275907-A1 GLUCOSE TRANSPORT INHIBITORS AND METHODS OF USE SEED, BRIAN 2007-11-29 US disclosed
US-20070275907-A1 GLUCOSE TRANSPORT INHIBITORS AND METHODS OF USE SEED, BRIAN 2007-11-29 US disclosed
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP disclosed
US-20030095958-A1 Inhibitors of bace VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US disclosed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 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 (6 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-20030095958-A1 Inhibitors of bace BACE2, BACE1, APP KDM4E 1717/4885ALDH1A1 2007/4885GAA 38/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB KDM4E 1890/4885ALDH1A1 185/4885GAA 1653/4885
US-20070275907-A1 GLUCOSE TRANSPORT INHIBITORS AND METHODS OF USE SLC5A1, SLC5A2, SLC2A1 KDM4E 2973/4885ALDH1A1 1010/4885GAA 223/4885
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 KDM4E 190/4885ALDH1A1 2776/4885GAA 1234/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB KDM4E 2288/4885ALDH1A1 120/4885GAA 1550/4885
US-20080242596-A1 BENZYLIC GLYCOSIDE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A1 KDM4E 2141/4885ALDH1A1 1224/4885GAA 146/4885

“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.