SCHEMBL19618976

SCHEMBL19618976

CCOC(=O)c1c(Br)c(C=O)nn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CRHBP P24387 1/20 0.35
CYP2C19 P33261 1/20 0.35
CRHR2 Q13324 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL19615370 0.84 KMT2A (0.37) KDM4ELMNAKMT2AALDH1A1HSD17B10
SCHEMBL1431561 0.81 ALDH1A1 (0.46) KDM4ELMNAKMT2AALDH1A1HSD17B10
SCHEMBL2363213 0.78 KDM4E (0.40) KDM4ELMNAKMT2AALDH1A1HSD17B10
SCHEMBL10427543 0.78 KMT2A (0.41) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL25405205 0.77 KMT2A (0.41) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL15273711 0.77 KMT2A (0.41) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL19635177 0.77 KMT2A (0.41) KDM4ELMNAKMT2AALDH1A1HSD17B10
SCHEMBL2448086 0.76 ALDH1A1 (0.41) KDM4ELMNAKMT2AALDH1A1HSD17B10
SCHEMBL25403560 0.76 KMT2A (0.40) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL19634985 0.76 SMN1; SMN2 (0.43) KDM4ELMNAKMT2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492358-B1 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-11-08 US disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
CN-109715632-B Macrocyclic indole derivatives 拜尔公开股份有限公司 2021-10-26 CN disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 US disclosed
EP-3458459-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 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-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 KDM4E 2131/4885LMNA 962/4885KMT2A 930/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 KDM4E 1858/4885LMNA 1055/4885KMT2A 772/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 KDM4E 2044/4885LMNA 933/4885KMT2A 897/4885

“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.